4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine

C15H19N — CID 58536481

IUPAC4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC/C=C/NC1C=CC(C2C=CC=CC2)=CC1
InChIInChI=1S/C15H19N/c1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-6,8-10,12-13,15-16H,7,11H2,1H3/b12-2+
InChIKeyAHXCJYJZMGZORO-SWGQDTFXSA-N
MW213.32 g/mol
LogP3.50
Rot. Bonds3

About 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine

4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine (PubChem CID 58536481) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
PubChem CID58536481
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC/C=C/NC1C=CC(C2C=CC=CC2)=CC1
InChIInChI=1S/C15H19N/c1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-6,8-10,12-13,15-16H,7,11H2,1H3/b12-2+
InChIKeyAHXCJYJZMGZORO-SWGQDTFXSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3a,7a-dihydro-1H-indole
CID 20577477
7,7a-Dihydroindole
CID 68201405
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CID 118657074
3-Fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
CID 129194102
2-(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)-3-methyl-1,2-dihydropyridine
CID 163919749
(1Z,3E)-3-fluoro-5-methylidene-1-N-(2-methylpropyl)octa-1,3,7-triene-1,6-diamine
CID 166773525
2-Isobutyl-2,4-diisopropylpyridine
CID 129675219
N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 134966651
3,3-Diethylisoquinoline
CID 164890311
4-methyl-N-[(1E)-6-methyl-3-(trifluoromethyl)nona-1,3-dienyl]cyclohexa-2,4-dien-1-amine
CID 143703456
(1S)-N-ethenyl-4-fluoro-7-methylcyclohepta-2,4-dien-1-amine
CID 166158127
4-Propan-2-yl-1,2-dihydropyridine
CID 420922

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine (CID 58536481) is 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine is C/C=C/NC1C=CC(C2C=CC=CC2)=CC1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is AHXCJYJZMGZORO-SWGQDTFXSA-N. The full InChI is InChI=1S/C15H19N/c1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-6,8-10,12-13,15-16H,7,11H2,1H3/b12-2+.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-N-[(E)-prop-1-enyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 58536481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).