3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol

C18H27NO2 — CID 78150855

IUPAC3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
SMILESOC1CC(C2CCCCC2)C(NCc2ccccc2)C1O
InChIInChI=1S/C18H27NO2/c20-16-11-15(14-9-5-2-6-10-14)17(18(16)21)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-21H,2,5-6,9-12H2
InChIKeySMFVVONIUYQRTI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.47
Rot. Bonds4

About 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol

3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol (PubChem CID 78150855) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
PubChem CID78150855
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
SMILESOC1CC(C2CCCCC2)C(NCc2ccccc2)C1O
InChIInChI=1S/C18H27NO2/c20-16-11-15(14-9-5-2-6-10-14)17(18(16)21)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-21H,2,5-6,9-12H2
InChIKeySMFVVONIUYQRTI-UHFFFAOYSA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
(1R,2S,3R,4R)-4-cyclohexyl-3-(cyclopentylmethylamino)cyclopentane-1,2-diol
CID 71693835
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
benzene;N-benzylcyclohexanamine
CID 142622843
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
CID 114331396
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
2-N-benzyl-1-N,1-N-dimethylcycloheptane-1,2-diamine;dihydrochloride
CID 23349763
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
The IUPAC name of 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol (CID 78150855) is 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol.
What is the SMILES notation for 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
The canonical SMILES for 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol is OC1CC(C2CCCCC2)C(NCc2ccccc2)C1O.
What is the InChIKey of 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
The InChIKey is SMFVVONIUYQRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-16-11-15(14-9-5-2-6-10-14)17(18(16)21)19-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-21H,2,5-6,9-12H2.
What are the key properties of 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol?
3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol has a molecular weight of 289.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol is sourced from PubChem (CID 78150855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).