trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol

C11H23NO2 — CID 106131373

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

About trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol (PubChem CID 106131373) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
PubChem CID106131373
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
SMILESCC(O)CCCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H23NO2/c1-9(13)5-4-8-12-10-6-2-3-7-11(10)14/h9-14H,2-8H2,1H3/t9?,10-,11-/m0/s1
InChIKeyGEZOEYSPFGKSMJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
trans-(1R,2R)-2-(3-hydroxybutylamino)cyclopentan-1-ol
CID 102733575
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
5-[(2-tert-butylcyclohexyl)amino]pentan-2-ol
CID 107270228
trans-(1R,2R)-2-[(5-hydroxy-4-methylpentyl)amino]cyclopentan-1-ol
CID 106159975
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
CID 106045825
2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
trans-(1R,2R)-2-(3-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731720

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol (CID 106131373) is trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol is CC(O)CCCN[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol?
The InChIKey is GEZOEYSPFGKSMJ-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13)5-4-8-12-10-6-2-3-7-11(10)14/h9-14H,2-8H2,1H3/t9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-hydroxypentylamino)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-(4-hydroxypentylamino)cyclohexan-1-ol is sourced from PubChem (CID 106131373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).