[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol

C17H23NO — CID 62551147

IUPAC[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC#Cc2ccccc2)C1
InChIInChI=1S/C17H23NO/c1-15-7-5-11-17(13-15,14-19)18-12-6-10-16-8-3-2-4-9-16/h2-4,8-9,15,18-19H,5,7,11-14H2,1H3
InChIKeyKGGFWSHRJAWQMK-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.57
Rot. Bonds3

About [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol

[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol (PubChem CID 62551147) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
PubChem CID62551147
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC#Cc2ccccc2)C1
InChIInChI=1S/C17H23NO/c1-15-7-5-11-17(13-15,14-19)18-12-6-10-16-8-3-2-4-9-16/h2-4,8-9,15,18-19H,5,7,11-14H2,1H3
InChIKeyKGGFWSHRJAWQMK-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.57
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

[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
CID 116789037
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
CID 66418709
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol (CID 62551147) is [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol is CC1CCCC(CO)(NCC#Cc2ccccc2)C1.
What is the InChIKey of [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol?
The InChIKey is KGGFWSHRJAWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-15-7-5-11-17(13-15,14-19)18-12-6-10-16-8-3-2-4-9-16/h2-4,8-9,15,18-19H,5,7,11-14H2,1H3.
What are the key properties of [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol?
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol has a molecular weight of 257.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol is sourced from PubChem (CID 62551147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).