trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol

C11H23NO2 — CID 102731727

IUPACtrans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
SMILESCCC(CCO)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-2-9(7-8-13)12-10-5-3-4-6-11(10)14/h9-14H,2-8H2,1H3/t9?,10-,11-/m0/s1
InChIKeyFCOLVIGQYZAQJD-DVRYWGNFSA-N
MW201.31 g/mol
LogP1.04
Rot. Bonds5

About trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol (PubChem CID 102731727) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
PubChem CID102731727
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
SMILESCCC(CCO)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-2-9(7-8-13)12-10-5-3-4-6-11(10)14/h9-14H,2-8H2,1H3/t9?,10-,11-/m0/s1
InChIKeyFCOLVIGQYZAQJD-DVRYWGNFSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-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

2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
trans-(1R,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclopentan-1-ol
CID 106159498
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
3-[(2-phenylcyclohexyl)amino]pentan-1-ol
CID 115723129
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
3-(cyclopropylamino)pentan-1-ol
CID 83815190
3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
CID 102672340
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol (CID 102731727) is trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol is CCC(CCO)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol?
The InChIKey is FCOLVIGQYZAQJD-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-9(7-8-13)12-10-5-3-4-6-11(10)14/h9-14H,2-8H2,1H3/t9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).