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Chemical ID: 4620860
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
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Experimental Annotations
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Descriptor Annotations
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