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

C10H21NO — CID 3151936

IUPAC1-[(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC(O)CNC1CCCC(C)C1
InChIInChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h8-12H,3-7H2,1-2H3
InChIKeyNRPGTWMBGPTPRM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds3

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

1-[(3-methylcyclohexyl)amino]propan-2-ol (PubChem CID 3151936) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[(3-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methylcyclohexyl)amino]propan-2-ol
PubChem CID3151936
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC(O)CNC1CCCC(C)C1
InChIInChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h8-12H,3-7H2,1-2H3
InChIKeyNRPGTWMBGPTPRM-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-[(3-methylcyclohexyl)amino]propan-2-ol (CID 3151936) is 1-[(3-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-methylcyclohexyl)amino]propan-2-ol is CC(O)CNC1CCCC(C)C1.
What is the InChIKey of 1-[(3-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is NRPGTWMBGPTPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-4-3-5-10(6-8)11-7-9(2)12/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-[(3-methylcyclohexyl)amino]propan-2-ol?
1-[(3-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 3151936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).