N-(2-phenylprop-2-enyl)hex-5-yn-1-amine

C15H19N — CID 106211574

IUPACN-(2-phenylprop-2-enyl)hex-5-yn-1-amine
SMILESC#CCCCCNCC(=C)c1ccccc1
InChIInChI=1S/C15H19N/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h1,6-8,10-11,16H,2,4-5,9,12-13H2
InChIKeyKAQFPTFMFBUKHY-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.09
Rot. Bonds7

About N-(2-phenylprop-2-enyl)hex-5-yn-1-amine

N-(2-phenylprop-2-enyl)hex-5-yn-1-amine (PubChem CID 106211574) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-phenylprop-2-enyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(2-phenylprop-2-enyl)hex-5-yn-1-amine
PubChem CID106211574
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-(2-phenylprop-2-enyl)hex-5-yn-1-amine
SMILESC#CCCCCNCC(=C)c1ccccc1
InChIInChI=1S/C15H19N/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h1,6-8,10-11,16H,2,4-5,9,12-13H2
InChIKeyKAQFPTFMFBUKHY-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.09
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)pent-4-yn-1-amine
CID 106221350
6-(2-phenylprop-2-enylamino)hexan-1-ol
CID 107851678
2-phenyl-N-(2-prop-2-ynylsulfanylethyl)prop-2-en-1-amine
CID 106428581
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
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
N-(2-chloroprop-2-enyl)hex-5-yn-1-amine
CID 106211664
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N-hex-5-ynylaniline
CID 166956597
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylprop-2-enyl)hex-5-yn-1-amine?
The IUPAC name of N-(2-phenylprop-2-enyl)hex-5-yn-1-amine (CID 106211574) is N-(2-phenylprop-2-enyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(2-phenylprop-2-enyl)hex-5-yn-1-amine?
The canonical SMILES for N-(2-phenylprop-2-enyl)hex-5-yn-1-amine is C#CCCCCNCC(=C)c1ccccc1.
What is the InChIKey of N-(2-phenylprop-2-enyl)hex-5-yn-1-amine?
The InChIKey is KAQFPTFMFBUKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-4-5-9-12-16-13-14(2)15-10-7-6-8-11-15/h1,6-8,10-11,16H,2,4-5,9,12-13H2.
What are the key properties of N-(2-phenylprop-2-enyl)hex-5-yn-1-amine?
N-(2-phenylprop-2-enyl)hex-5-yn-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.09, 7 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)hex-5-yn-1-amine is sourced from PubChem (CID 106211574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).