Chemical ID: 4623725

CC1(CC(=CC(=O)C1)N)C
Chemical ID:
4623725
Name [?]:
3-amino-5,5-dimethyl-cyclohex-2-en-1-one
SMILES [?]:
CC1(CC(=CC(=O)C1)N)C
InChi [?]:
InChI=1/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,3,8,4,6,2,9,7/E:(1,2)/rA:10nCCCCCCOCNC/rB:s1;s2;s3;d4;s5;d6;s2s6;s4;s2;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.67033
Area:290.919
Solvation:-1.60264
Coulombic:-23.9363
Bond Count [?]
All:10
Single:8
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:139.195
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.85
LogP (Chemaxon):0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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