[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine

C17H23N — CID 114277559

IUPAC[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(CC#Cc2ccccc2)CC1
InChIInChI=1S/C17H23N/c1-15-9-12-17(14-18,13-10-15)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,15H,9-14,18H2,1H3
InChIKeyVJCJIWIRCWYKMX-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.58
Rot. Bonds2

About [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine

[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine (PubChem CID 114277559) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine
PubChem CID114277559
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)(CC#Cc2ccccc2)CC1
InChIInChI=1S/C17H23N/c1-15-9-12-17(14-18,13-10-15)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,15H,9-14,18H2,1H3
InChIKeyVJCJIWIRCWYKMX-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triphenylbutanamine
CID 57094730
3,3-Diphenylpropylamine
CID 79698
2-Methyl-2-phenylpropan-1-amine
CID 210602
(1-Phenylcyclohexyl)methanamine
CID 205110
1-Butanamine, 2-(diphenylmethylene)-, hydrochloride (1:1)
CID 121035
(1-(4-Fluorophenyl)cyclohexyl)methanamine
CID 20110059
2-(4-Tert-butylphenyl)ethan-1-amine
CID 2735689
2,3-Diphenylpropylamine
CID 38619
Etifelmine
CID 68840
4,4-Diphenylbutylamine
CID 3015863
(1-(Biphenyl-4-yl)cyclohexyl)methanamine
CID 24860898
Phenethylamine, beta,beta-dimethyl-, hydrochloride
CID 210601

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine (CID 114277559) is [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine is CC1CCC(CN)(CC#Cc2ccccc2)CC1.
What is the InChIKey of [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine?
The InChIKey is VJCJIWIRCWYKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-15-9-12-17(14-18,13-10-15)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,15H,9-14,18H2,1H3.
What are the key properties of [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine?
[4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine has a molecular weight of 241.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-phenylprop-2-ynyl)cyclohexyl]methanamine is sourced from PubChem (CID 114277559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).