1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol

C9H19NO — CID 46835727

IUPAC1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CN)C1
InChIInChI=1S/C9H19NO/c1-8(2)4-3-5-9(11,6-8)7-10/h11H,3-7,10H2,1-2H3
InChIKeyMLZLVMCHKUSCQC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds1

About 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol

1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol (PubChem CID 46835727) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
PubChem CID46835727
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CN)C1
InChIInChI=1S/C9H19NO/c1-8(2)4-3-5-9(11,6-8)7-10/h11H,3-7,10H2,1-2H3
InChIKeyMLZLVMCHKUSCQC-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-pentylcyclohexan-1-ol
CID 65148962
1-decyl-3,3-dimethylcyclohexan-1-ol
CID 65149393
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65153619
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 105402555
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
CID 100650712
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 114224490
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol
CID 121427173
2-(aminomethyl)-1,2-dimethylcyclopentan-1-ol
CID 130681780
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol (CID 46835727) is 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(CN)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol?
The InChIKey is MLZLVMCHKUSCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)4-3-5-9(11,6-8)7-10/h11H,3-7,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol?
1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 46835727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).