1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol

C9H19NO — CID 64756405

IUPAC1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CN)C1C
InChIInChI=1S/C9H19NO/c1-7-4-3-5-9(11,6-10)8(7)2/h7-8,11H,3-6,10H2,1-2H3
InChIKeyMQKXAWAGJGVJTB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds1

About 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol

1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 64756405) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol
PubChem CID64756405
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(CN)C1C
InChIInChI=1S/C9H19NO/c1-7-4-3-5-9(11,6-10)8(7)2/h7-8,11H,3-6,10H2,1-2H3
InChIKeyMQKXAWAGJGVJTB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 70684950
(2R)-2-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 70687143
2-[4-(Aminomethyl)cyclohexyl]propan-2-ol
CID 18734931
4-Amino-2-cyclohexylbutan-2-ol
CID 20481707
1-(Aminomethyl)-3-methylcyclohexanol hydrochloride
CID 68736026
(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
CID 101131922
2-(Aminomethyl)bicyclo[2.2.2]octan-2-ol hydrochloride
CID 132351027
1-Amino-2-(4-ethylcyclohexyl)propan-2-ol hydrochloride
CID 145867175
(1s,3s)-1-(Aminomethyl)-3-methylcyclohexanol
CID 25015095
1-(Aminomethyl)-3-methylcyclohexan-1-ol
CID 43436650
1-(Aminomethyl)-3,3-dimethylcyclohexanol
CID 46835727
1-Amino-2-(4-ethylcyclohexyl)propan-2-ol
CID 66037683

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol (CID 64756405) is 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(CN)C1C.
What is the InChIKey of 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is MQKXAWAGJGVJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-4-3-5-9(11,6-10)8(7)2/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol?
1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).