ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine

C19H31N — CID 164573224

IUPACethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C/C)C(NC)c1ccccc1.CC.CC
InChIInChI=1S/C15H19N.2C2H6/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14;2*1-2/h4-12,15-16H,2H2,1,3H3;2*1-2H3/b6-4-,13-10+;;
InChIKeyLNAINOBLYKSQJN-RLFXBRAGSA-N
MW273.46 g/mol
LogP5.69
Rot. Bonds5

About ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine

ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine (PubChem CID 164573224) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
PubChem CID164573224
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Nameethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C=C/C)C(NC)c1ccccc1.CC.CC
InChIInChI=1S/C15H19N.2C2H6/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14;2*1-2/h4-12,15-16H,2H2,1,3H3;2*1-2H3/b6-4-,13-10+;;
InChIKeyLNAINOBLYKSQJN-RLFXBRAGSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.69
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

(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
CID 21102554
1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine
CID 144698887
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine
CID 102492362
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
CID 163276575
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine?
The IUPAC name of ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine (CID 164573224) is ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine?
The canonical SMILES for ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine is C=C/C(=C\C=C/C)C(NC)c1ccccc1.CC.CC.
What is the InChIKey of ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine?
The InChIKey is LNAINOBLYKSQJN-RLFXBRAGSA-N. The full InChI is InChI=1S/C15H19N.2C2H6/c1-4-6-10-13(5-2)15(16-3)14-11-8-7-9-12-14;2*1-2/h4-12,15-16H,2H2,1,3H3;2*1-2H3/b6-4-,13-10+;;.
What are the key properties of ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine?
ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-amine is sourced from PubChem (CID 164573224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).