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

C17H23NO — CID 103966358

IUPAC[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC#Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H23NO/c19-15-17(11-5-2-6-12-17)14-18-13-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,18-19H,2,5-6,11-15H2
InChIKeyKHJNDIKTDGBRHV-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.57
Rot. Bonds4

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

[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol (PubChem CID 103966358) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol
PubChem CID103966358
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNCC#Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H23NO/c19-15-17(11-5-2-6-12-17)14-18-13-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,18-19H,2,5-6,11-15H2
InChIKeyKHJNDIKTDGBRHV-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
CID 65108630
2-[[1-(3-phenylprop-2-ynyl)cyclohexyl]methylamino]acetic acid
CID 11066027
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[1-[[3-(N-methylanilino)propylamino]methyl]cyclohexyl]methanol
CID 81399355
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
CID 113293779
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330

Frequently Asked Questions

What is the IUPAC name of [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol (CID 103966358) is [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol is OCC1(CNCC#Cc2ccccc2)CCCCC1.
What is the InChIKey of [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol?
The InChIKey is KHJNDIKTDGBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-15-17(11-5-2-6-12-17)14-18-13-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,18-19H,2,5-6,11-15H2.
What are the key properties of [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol?
[1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol has a molecular weight of 257.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-phenylprop-2-ynylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).