N-(2-phenylprop-2-enyl)pent-4-yn-1-amine

C14H17N — CID 106221350

IUPACN-(2-phenylprop-2-enyl)pent-4-yn-1-amine
SMILESC#CCCCNCC(=C)c1ccccc1
InChIInChI=1S/C14H17N/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h1,5-7,9-10,15H,2,4,8,11-12H2
InChIKeyQZXMQIKPVQXYAT-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.70
Rot. Bonds6

About N-(2-phenylprop-2-enyl)pent-4-yn-1-amine

N-(2-phenylprop-2-enyl)pent-4-yn-1-amine (PubChem CID 106221350) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(2-phenylprop-2-enyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(2-phenylprop-2-enyl)pent-4-yn-1-amine
PubChem CID106221350
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-(2-phenylprop-2-enyl)pent-4-yn-1-amine
SMILESC#CCCCNCC(=C)c1ccccc1
InChIInChI=1S/C14H17N/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h1,5-7,9-10,15H,2,4,8,11-12H2
InChIKeyQZXMQIKPVQXYAT-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.70
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

N-(2-phenylprop-2-enyl)hex-5-yn-1-amine
CID 106211574
2-phenyl-N-(2-prop-2-ynylsulfanylethyl)prop-2-en-1-amine
CID 106428581
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
N',N'-dimethyl-N-(2-phenylprop-2-enyl)butane-1,4-diamine
CID 113288145
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
CID 78921499

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylprop-2-enyl)pent-4-yn-1-amine?
The IUPAC name of N-(2-phenylprop-2-enyl)pent-4-yn-1-amine (CID 106221350) is N-(2-phenylprop-2-enyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(2-phenylprop-2-enyl)pent-4-yn-1-amine?
The canonical SMILES for N-(2-phenylprop-2-enyl)pent-4-yn-1-amine is C#CCCCNCC(=C)c1ccccc1.
What is the InChIKey of N-(2-phenylprop-2-enyl)pent-4-yn-1-amine?
The InChIKey is QZXMQIKPVQXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h1,5-7,9-10,15H,2,4,8,11-12H2.
What are the key properties of N-(2-phenylprop-2-enyl)pent-4-yn-1-amine?
N-(2-phenylprop-2-enyl)pent-4-yn-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylprop-2-enyl)pent-4-yn-1-amine is sourced from PubChem (CID 106221350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).