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

C16H21N — CID 21102554

IUPAC(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C\C)CNC(C)c1ccccc1
InChIInChI=1S/C16H21N/c1-4-6-10-15(5-2)13-17-14(3)16-11-8-7-9-12-16/h4-12,14,17H,2,13H2,1,3H3/b6-4+,15-10+
InChIKeyXZFUZZWGKKLGDD-SQXCIYSKSA-N
MW227.35 g/mol
LogP4.03
Rot. Bonds6

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

(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine (PubChem CID 21102554) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
PubChem CID21102554
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C\C)CNC(C)c1ccccc1
InChIInChI=1S/C16H21N/c1-4-6-10-15(5-2)13-17-14(3)16-11-8-7-9-12-16/h4-12,14,17H,2,13H2,1,3H3/b6-4+,15-10+
InChIKeyXZFUZZWGKKLGDD-SQXCIYSKSA-N
XLogP4.03
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 ≤ 54.03
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)-2-ethenyl-N-(1-phenylethyl)penta-2,4-dien-1-amine
CID 143927593
(2E,4Z)-2-[(E)-1-chloroprop-1-en-2-yl]-N-(1-phenylethyl)hexa-2,4-dien-1-amine;N-fluoro-N-methylmethanamine;formaldehyde
CID 143249851
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
CID 176995490
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
CID 164573224
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine (CID 21102554) is (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine is C=C/C(=C\C=C\C)CNC(C)c1ccccc1.
What is the InChIKey of (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine?
The InChIKey is XZFUZZWGKKLGDD-SQXCIYSKSA-N. The full InChI is InChI=1S/C16H21N/c1-4-6-10-15(5-2)13-17-14(3)16-11-8-7-9-12-16/h4-12,14,17H,2,13H2,1,3H3/b6-4+,15-10+.
What are the key properties of (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine?
(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine is sourced from PubChem (CID 21102554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).