N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine

C17H23N — CID 63079369

IUPACN-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23N/c1-3-4-12-16(18-2)17(13-8-9-14-17)15-10-6-5-7-11-15/h5-7,10-11,16,18H,8-9,12-14H2,1-2H3
InChIKeyVTSDSRIDIXTKCB-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.50
Rot. Bonds4

About N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine

N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine (PubChem CID 63079369) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine
PubChem CID63079369
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23N/c1-3-4-12-16(18-2)17(13-8-9-14-17)15-10-6-5-7-11-15/h5-7,10-11,16,18H,8-9,12-14H2,1-2H3
InChIKeyVTSDSRIDIXTKCB-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
CID 63080243
N-ethyl-1-(1-phenylcyclobutyl)pent-3-yn-1-amine
CID 63080062
1-(1-phenylcyclohexyl)pent-3-yn-1-amine
CID 63079549
N,3-dimethyl-1-(1-phenylcyclopentyl)pentan-1-amine
CID 55187965
2-cyclopropyl-N-methyl-1-(1-phenylcyclohexyl)ethanamine
CID 64904456
N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
CID 63418164
1-(1-phenylcyclopentyl)hex-4-yn-1-ol
CID 104803772
1-(1-methoxycyclopentyl)-N-methylpent-3-yn-1-amine
CID 104610913
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
2-(3-bromothiophen-2-yl)-N-methyl-1-(1-phenylcyclopentyl)ethanamine
CID 63417537
N-methyl-1-phenylhex-4-yn-2-amine
CID 62310382
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65477303

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine (CID 63079369) is N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine is CC#CCC(NC)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine?
The InChIKey is VTSDSRIDIXTKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-4-12-16(18-2)17(13-8-9-14-17)15-10-6-5-7-11-15/h5-7,10-11,16,18H,8-9,12-14H2,1-2H3.
What are the key properties of N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine?
N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylcyclopentyl)pent-3-yn-1-amine is sourced from PubChem (CID 63079369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).