1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol

C16H21NO — CID 65108630

IUPAC1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC#Cc2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO/c18-16(11-5-2-6-12-16)14-17-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,17-18H,2,5-6,11-14H2
InChIKeyUUJNLWSYOSFRIQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol

1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol (PubChem CID 65108630) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
PubChem CID65108630
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC#Cc2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO/c18-16(11-5-2-6-12-16)14-17-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,17-18H,2,5-6,11-14H2
InChIKeyUUJNLWSYOSFRIQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.32
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]cyclohexyl]methanol
CID 103966358
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[(2-phenylsulfanylethylamino)methyl]cycloheptan-1-ol
CID 60710821
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
2-[[1-(3-phenylprop-2-ynyl)cyclohexyl]methylamino]acetic acid
CID 11066027
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
CID 107876214
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
1-[[3-(N-methylanilino)propylamino]methyl]cycloheptan-1-ol
CID 60710937
3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine
CID 107423580

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol (CID 65108630) is 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol is OC1(CNCC#Cc2ccccc2)CCCCC1.
What is the InChIKey of 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol?
The InChIKey is UUJNLWSYOSFRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(11-5-2-6-12-16)14-17-13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,17-18H,2,5-6,11-14H2.
What are the key properties of 1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol?
1-[(3-phenylprop-2-ynylamino)methyl]cyclohexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.32, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 65108630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).