Chemical ID: 4620860

CC1(CC(CCO1)CCN)C
Chemical ID:
4620860
Name [?]:
2-(2,2-dimethyltetrahydropyran-4-yl)ethanamine
SMILES [?]:
CC1(CC(CCO1)CCN)C
InChi [?]:
InChI=1/C9H19NO/c1-9(2)7-8(3-5-10)4-6-11-9/h8H,3-7,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,8,5,9,6,3,4,2,10,7/E:(1,2)/rA:11cCCCCCCOCCNC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H19NO
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.08108
Area:327.034
Solvation:-2.09477
Coulombic:-20.3744
Bond Count [?]
All:11
Single:11
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:157.253
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.22
LogP (Chemaxon):0.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue