(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine

C15H19N — CID 143927593

IUPAC(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNC(C)c1ccccc1
InChIInChI=1S/C15H19N/c1-4-9-14(5-2)12-16-13(3)15-10-7-6-8-11-15/h4-11,13,16H,1-2,12H2,3H3/b14-9+
InChIKeyPWQSXBQBGJDKMV-NTEUORMPSA-N
MW213.32 g/mol
LogP3.64
Rot. Bonds6

About (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine

(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine (PubChem CID 143927593) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
PubChem CID143927593
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNC(C)c1ccccc1
InChIInChI=1S/C15H19N/c1-4-9-14(5-2)12-16-13(3)15-10-7-6-8-11-15/h4-11,13,16H,1-2,12H2,3H3/b14-9+
InChIKeyPWQSXBQBGJDKMV-NTEUORMPSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
CID 21102554
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
[(5Z)-5-ethenyl-2-phenylocta-5,7-dien-3-yl]benzene
CID 144577995
(4Z)-4-ethenyl-1-phenylhepta-4,6-dien-1-ol
CID 142924342
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene
CID 164925034
(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
CID 143978564
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine (CID 143927593) is (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine is C=C/C=C(\C=C)CNC(C)c1ccccc1.
What is the InChIKey of (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine?
The InChIKey is PWQSXBQBGJDKMV-NTEUORMPSA-N. The full InChI is InChI=1S/C15H19N/c1-4-9-14(5-2)12-16-13(3)15-10-7-6-8-11-15/h4-11,13,16H,1-2,12H2,3H3/b14-9+.
What are the key properties of (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine?
(2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 143927593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).