(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine

C20H23N — CID 143436432

IUPAC(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNCc1ccccc1C1=CCCC=C1
InChIInChI=1S/C20H23N/c1-3-10-17(4-2)15-21-16-19-13-8-9-14-20(19)18-11-6-5-7-12-18/h3-4,6,8-14,21H,1-2,5,7,15-16H2/b17-10+
InChIKeyMKPNDKLZVCJIDO-LICLKQGHSA-N
MW277.41 g/mol
LogP4.81
Rot. Bonds7

About (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine

(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine (PubChem CID 143436432) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine
PubChem CID143436432
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C)CNCc1ccccc1C1=CCCC=C1
InChIInChI=1S/C20H23N/c1-3-10-17(4-2)15-21-16-19-13-8-9-14-20(19)18-11-6-5-7-12-18/h3-4,6,8-14,21H,1-2,5,7,15-16H2/b17-10+
InChIKeyMKPNDKLZVCJIDO-LICLKQGHSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.81
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

1-cyclohexa-1,5-dien-1-yl-2-[4-[3-cyclohexa-1,5-dien-1-yl-2-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]phenyl]-3,4-diphenylbenzene
CID 172627543
(2E)-2-ethenyl-N-ethylpenta-2,4-dien-1-amine;ethylbenzene
CID 164925034
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
CID 142908128
3-cyclohexa-1,5-dien-1-yl-2-hydroxybenzaldehyde;ethane
CID 153350231
1-(2-cyclohexa-1,5-dien-1-ylethyl)-3-[(3Z)-3-ethenylhexa-3,5-dienyl]urea;ethane;methanamine
CID 144937648
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
1-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]ethenamine;ethane;1-ethyl-2-methylbenzene;prop-1-ene
CID 142394723
4-cyclohexa-1,5-dien-1-yl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline
CID 142340608
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
6-cyclohexa-1,5-dien-1-yl-4-(9,9-dimethylfluoren-2-yl)-2-[(3E)-hepta-1,3-dien-4-yl]-1,4-dihydropyrimidine
CID 145276435
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
N-[(2-phenylphenyl)methyl]prop-2-en-1-amine
CID 90242469

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine (CID 143436432) is (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine is C=C/C=C(\C=C)CNCc1ccccc1C1=CCCC=C1.
What is the InChIKey of (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine?
The InChIKey is MKPNDKLZVCJIDO-LICLKQGHSA-N. The full InChI is InChI=1S/C20H23N/c1-3-10-17(4-2)15-21-16-19-13-8-9-14-20(19)18-11-6-5-7-12-18/h3-4,6,8-14,21H,1-2,5,7,15-16H2/b17-10+.
What are the key properties of (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine?
(2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2-cyclohexa-1,5-dien-1-ylphenyl)methyl]-2-ethenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143436432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).