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

C16H21N — CID 114160919

IUPACN-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H21N/c1-3-8-15(4-2)17-16(14-11-12-14)13-9-6-5-7-10-13/h2,5-7,9-10,14-17H,3,8,11-12H2,1H3
InChIKeyFEROEWDKQYECIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.53
Rot. Bonds6

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

N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine (PubChem CID 114160919) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
PubChem CID114160919
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H21N/c1-3-8-15(4-2)17-16(14-11-12-14)13-9-6-5-7-10-13/h2,5-7,9-10,14-17H,3,8,11-12H2,1H3
InChIKeyFEROEWDKQYECIK-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.53
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]hex-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

N-[cyclopropyl-(4-methylphenyl)methyl]pent-1-yn-3-amine
CID 114160632
N-[cyclopropyl(phenyl)methyl]-4-methylpent-1-yn-3-amine
CID 114202113
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
2-(hex-1-yn-3-ylamino)-2-phenylacetic acid
CID 106231897
N-(3,3,3-trifluoro-1-phenylpropyl)hex-1-yn-3-amine
CID 106226313
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
CID 106226699
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
CID 106227111

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine (CID 114160919) is N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine is C#CC(CCC)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine?
The InChIKey is FEROEWDKQYECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-8-15(4-2)17-16(14-11-12-14)13-9-6-5-7-10-13/h2,5-7,9-10,14-17H,3,8,11-12H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine?
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine has a molecular weight of 227.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine is sourced from PubChem (CID 114160919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).