(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol

C20H27NO — CID 146160788

IUPAC(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol
SMILESO[C@@]1(C#Cc2ccccc2)CCCC1NCC1CCCCC1
InChIInChI=1S/C20H27NO/c22-20(15-13-17-8-3-1-4-9-17)14-7-12-19(20)21-16-18-10-5-2-6-11-18/h1,3-4,8-9,18-19,21-22H,2,5-7,10-12,14,16H2/t19?,20-/m1/s1
InChIKeyFDVDISSOPUNROB-GFOWMXPYSA-N
MW297.44 g/mol
LogP3.49
Rot. Bonds3

About (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol

(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol (PubChem CID 146160788) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol
PubChem CID146160788
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol
SMILESO[C@@]1(C#Cc2ccccc2)CCCC1NCC1CCCCC1
InChIInChI=1S/C20H27NO/c22-20(15-13-17-8-3-1-4-9-17)14-7-12-19(20)21-16-18-10-5-2-6-11-18/h1,3-4,8-9,18-19,21-22H,2,5-7,10-12,14,16H2/t19?,20-/m1/s1
InChIKeyFDVDISSOPUNROB-GFOWMXPYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-(cyclohexylmethylamino)-1-[2-(4-fluorophenyl)ethynyl]cyclohexan-1-ol
CID 138391918
trans-(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentan-1-ol
CID 101375058
2-(2-phenylethynyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 101451441
5-(2-phenylethynyl)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 141161058
2-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethynyl)cyclooctan-1-ol
CID 24887223
N-(cyclooctylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 114207760
1-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane
CID 24806214
(1S,4R)-2-(2-phenylethynyl)bicyclo[2.2.1]heptan-2-ol
CID 102212474
N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79860846
N,N-dimethyl-1-(2-phenylethynyl)cyclohexan-1-amine
CID 51370402
2-benzylsulfanyl-N-(cyclohexylmethyl)ethanamine
CID 60665212
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol?
The IUPAC name of (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol (CID 146160788) is (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol.
What is the SMILES notation for (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol?
The canonical SMILES for (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol is O[C@@]1(C#Cc2ccccc2)CCCC1NCC1CCCCC1.
What is the InChIKey of (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol?
The InChIKey is FDVDISSOPUNROB-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H27NO/c22-20(15-13-17-8-3-1-4-9-17)14-7-12-19(20)21-16-18-10-5-2-6-11-18/h1,3-4,8-9,18-19,21-22H,2,5-7,10-12,14,16H2/t19?,20-/m1/s1.
What are the key properties of (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol?
(1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(cyclohexylmethylamino)-1-(2-phenylethynyl)cyclopentan-1-ol is sourced from PubChem (CID 146160788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).