3-amino-2-(2-methylcyclohexyl)propan-1-ol

C10H21NO — CID 83977151

IUPAC3-amino-2-(2-methylcyclohexyl)propan-1-ol
SMILESCC1CCCCC1C(CN)CO
InChIInChI=1S/C10H21NO/c1-8-4-2-3-5-10(8)9(6-11)7-12/h8-10,12H,2-7,11H2,1H3
InChIKeyCMOPGKXEIUTXJP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.38
Rot. Bonds3

About 3-amino-2-(2-methylcyclohexyl)propan-1-ol

3-amino-2-(2-methylcyclohexyl)propan-1-ol (PubChem CID 83977151) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-amino-2-(2-methylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-methylcyclohexyl)propan-1-ol
PubChem CID83977151
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-amino-2-(2-methylcyclohexyl)propan-1-ol
SMILESCC1CCCCC1C(CN)CO
InChIInChI=1S/C10H21NO/c1-8-4-2-3-5-10(8)9(6-11)7-12/h8-10,12H,2-7,11H2,1H3
InChIKeyCMOPGKXEIUTXJP-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
1-(2-methylcyclohexyl)-2-methylidenepropane-1,3-diol
CID 69422338
1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine
CID 131181781
3-amino-2-(4-ethylcyclohexyl)propan-1-ol
CID 165446079
2-cyclopentyl-1-(2-methylcyclopentyl)ethanol
CID 107192189
4-hydroxy-4-(2-methylcyclohexyl)butan-2-one
CID 560091
ethane;2-methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol
CID 142994431
2-[(1S,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]propane-1,3-diol
CID 57020694
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
(2,7-dimethylcycloheptyl)methanamine
CID 83905212
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylcyclohexyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-methylcyclohexyl)propan-1-ol (CID 83977151) is 3-amino-2-(2-methylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-methylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-methylcyclohexyl)propan-1-ol is CC1CCCCC1C(CN)CO.
What is the InChIKey of 3-amino-2-(2-methylcyclohexyl)propan-1-ol?
The InChIKey is CMOPGKXEIUTXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-4-2-3-5-10(8)9(6-11)7-12/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 3-amino-2-(2-methylcyclohexyl)propan-1-ol?
3-amino-2-(2-methylcyclohexyl)propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylcyclohexyl)propan-1-ol is sourced from PubChem (CID 83977151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).