(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine

C20H29N — CID 142494530

IUPAC(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine
SMILESC=C(NC/C=C\C)C(C)/C(CC)=C(\C)c1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-7-9-14-21-18(6)16(4)20(8-2)17(5)19-12-10-15(3)11-13-19/h7,9-13,16,21H,6,8,14H2,1-5H3/b9-7-,20-17+
InChIKeyLSWBZNVXFFTEMN-SIOOWMBNSA-N
MW283.46 g/mol
LogP5.49
Rot. Bonds7

About (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine

(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine (PubChem CID 142494530) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine
PubChem CID142494530
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine
SMILESC=C(NC/C=C\C)C(C)/C(CC)=C(\C)c1ccc(C)cc1
InChIInChI=1S/C20H29N/c1-7-9-14-21-18(6)16(4)20(8-2)17(5)19-12-10-15(3)11-13-19/h7,9-13,16,21H,6,8,14H2,1-5H3/b9-7-,20-17+
InChIKeyLSWBZNVXFFTEMN-SIOOWMBNSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
CID 142494445
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
CID 178010353
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
(2Z,4Z)-N-tert-butyl-2-(4-methylphenyl)hepta-2,4-diene-3-sulfonamide
CID 142086004
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610
1-[(E)-3-ethyl-4-phenylpent-2-en-2-yl]-4-phenylbenzene
CID 142424624
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
CID 143697278
N-[(E)-but-2-enyl]-3-methylbenzamide
CID 178010009
6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine
CID 143117766
(3R)-N-ethyl-3-methyl-4-(4-methylphenyl)but-1-en-2-amine
CID 142994215
azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene
CID 142494461

Frequently Asked Questions

What is the IUPAC name of (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine?
The IUPAC name of (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine (CID 142494530) is (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine.
What is the SMILES notation for (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine?
The canonical SMILES for (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine is C=C(NC/C=C\C)C(C)/C(CC)=C(\C)c1ccc(C)cc1.
What is the InChIKey of (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine?
The InChIKey is LSWBZNVXFFTEMN-SIOOWMBNSA-N. The full InChI is InChI=1S/C20H29N/c1-7-9-14-21-18(6)16(4)20(8-2)17(5)19-12-10-15(3)11-13-19/h7,9-13,16,21H,6,8,14H2,1-5H3/b9-7-,20-17+.
What are the key properties of (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine?
(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine has a molecular weight of 283.46 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine is sourced from PubChem (CID 142494530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).