[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

(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
2,2-dimethyl-5,5-bis(3-phenylprop-2-ynyl)-1,3-dioxane
CID 11462069
4-methyl-N-(3-phenylprop-2-ynyl)cyclohexan-1-amine
CID 62340350
[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
CID 65051676
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
2-[[1-(3-phenylprop-2-ynyl)cyclohexyl]methylamino]acetic acid
CID 11066027
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
3-[(1S,2R)-2-methylcyclopentyl]prop-1-ynylbenzene
CID 101086252
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
CID 63521434

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).