N-(3-phenylpropyl)pent-3-yn-1-amine

C14H19N — CID 104806351

IUPACN-(3-phenylpropyl)pent-3-yn-1-amine
SMILESCC#CCCNCCCc1ccccc1
InChIInChI=1S/C14H19N/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1H3
InChIKeyIQTKPXJKDAZGCI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.62
Rot. Bonds6

About N-(3-phenylpropyl)pent-3-yn-1-amine

N-(3-phenylpropyl)pent-3-yn-1-amine (PubChem CID 104806351) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-phenylpropyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)pent-3-yn-1-amine
PubChem CID104806351
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(3-phenylpropyl)pent-3-yn-1-amine
SMILESCC#CCCNCCCc1ccccc1
InChIInChI=1S/C14H19N/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1H3
InChIKeyIQTKPXJKDAZGCI-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
2-(3-phenylpropylamino)ethanol
CID 19012091
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
CID 104806276
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-(4-phenylbutyl)hexan-1-amine
CID 54151992

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)pent-3-yn-1-amine?
The IUPAC name of N-(3-phenylpropyl)pent-3-yn-1-amine (CID 104806351) is N-(3-phenylpropyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(3-phenylpropyl)pent-3-yn-1-amine?
The canonical SMILES for N-(3-phenylpropyl)pent-3-yn-1-amine is CC#CCCNCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)pent-3-yn-1-amine?
The InChIKey is IQTKPXJKDAZGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1H3.
What are the key properties of N-(3-phenylpropyl)pent-3-yn-1-amine?
N-(3-phenylpropyl)pent-3-yn-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).