3-(propan-2-ylamino)cycloheptan-1-ol

C10H21NO — CID 160609920

IUPAC3-(propan-2-ylamino)cycloheptan-1-ol
SMILESCC(C)NC1CCCCC(O)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-9-5-3-4-6-10(12)7-9/h8-12H,3-7H2,1-2H3
InChIKeyLWHSNCHYGXBJNR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds2

About 3-(propan-2-ylamino)cycloheptan-1-ol

3-(propan-2-ylamino)cycloheptan-1-ol (PubChem CID 160609920) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(propan-2-ylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(propan-2-ylamino)cycloheptan-1-ol
PubChem CID160609920
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(propan-2-ylamino)cycloheptan-1-ol
SMILESCC(C)NC1CCCCC(O)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-9-5-3-4-6-10(12)7-9/h8-12H,3-7H2,1-2H3
InChIKeyLWHSNCHYGXBJNR-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 3-(propan-2-ylamino)cycloheptan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
3-(1-cyclobutylpropan-2-ylamino)cyclohexan-1-ol
CID 115712155
3-(5-methylhexan-2-ylamino)cyclohexan-1-ol
CID 43751238
N-propan-2-ylcycloheptanamine
CID 42562651
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
3-[(1-cyclopropyl-4-methylpentyl)amino]cyclohexan-1-ol
CID 114274449
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
3-(methylamino)cyclohexan-1-ol;hydrochloride
CID 138108510
3-[(2-propan-2-ylcyclohexyl)amino]cyclohexan-1-ol
CID 81328282
3-(cyclohexylamino)cyclohexan-1-ol
CID 43751273
(3S,5R)-5-(propan-2-ylamino)piperidin-3-ol
CID 166561286

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)cycloheptan-1-ol?
The IUPAC name of 3-(propan-2-ylamino)cycloheptan-1-ol (CID 160609920) is 3-(propan-2-ylamino)cycloheptan-1-ol.
What is the SMILES notation for 3-(propan-2-ylamino)cycloheptan-1-ol?
The canonical SMILES for 3-(propan-2-ylamino)cycloheptan-1-ol is CC(C)NC1CCCCC(O)C1.
What is the InChIKey of 3-(propan-2-ylamino)cycloheptan-1-ol?
The InChIKey is LWHSNCHYGXBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-9-5-3-4-6-10(12)7-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-(propan-2-ylamino)cycloheptan-1-ol?
3-(propan-2-ylamino)cycloheptan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)cycloheptan-1-ol is sourced from PubChem (CID 160609920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).