[1-(propan-2-ylamino)cyclohexyl]methanol

C10H21NO — CID 61048190

IUPAC[1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCCC1
InChIInChI=1S/C10H21NO/c1-9(2)11-10(8-12)6-4-3-5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeyNNDKDFNIJKDOCF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds3

About [1-(propan-2-ylamino)cyclohexyl]methanol

[1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 61048190) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID61048190
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCCC1
InChIInChI=1S/C10H21NO/c1-9(2)11-10(8-12)6-4-3-5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeyNNDKDFNIJKDOCF-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)cyclohexyl]methanol (CID 61048190) is [1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCCC1.
What is the InChIKey of [1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is NNDKDFNIJKDOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-10(8-12)6-4-3-5-7-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of [1-(propan-2-ylamino)cyclohexyl]methanol?
[1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 61048190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).