N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine

C16H21N — CID 114202113

IUPACN-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
SMILESC#CC(NC(c1ccccc1)C1CC1)C(C)C
InChIInChI=1S/C16H21N/c1-4-15(12(2)3)17-16(14-10-11-14)13-8-6-5-7-9-13/h1,5-9,12,14-17H,10-11H2,2-3H3
InChIKeyVGPSBXKSKOHRCX-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.39
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine

N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine (PubChem CID 114202113) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
PubChem CID114202113
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
SMILESC#CC(NC(c1ccccc1)C1CC1)C(C)C
InChIInChI=1S/C16H21N/c1-4-15(12(2)3)17-16(14-10-11-14)13-8-6-5-7-9-13/h1,5-9,12,14-17H,10-11H2,2-3H3
InChIKeyVGPSBXKSKOHRCX-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-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

1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
CID 114160919
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
4-[2-[[cyclopropyl(phenyl)methyl]amino]propyl]phenol
CID 115494135
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
2-[[cyclopropyl(phenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 115576034
N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534404

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine (CID 114202113) is N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine is C#CC(NC(c1ccccc1)C1CC1)C(C)C.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine?
The InChIKey is VGPSBXKSKOHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-15(12(2)3)17-16(14-10-11-14)13-8-6-5-7-9-13/h1,5-9,12,14-17H,10-11H2,2-3H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine?
N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine has a molecular weight of 227.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine is sourced from PubChem (CID 114202113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).