N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine

C15H19N — CID 123523602

IUPACN-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine
SMILESC=CC=C(/N=C/C=C)C1=CCC(CC)C=C1
InChIInChI=1S/C15H19N/c1-4-7-15(16-12-5-2)14-10-8-13(6-3)9-11-14/h4-5,7-8,10-13H,1-2,6,9H2,3H3/b15-7?,16-12+
InChIKeyCYXXPJCAIIKOCB-JJGARPFQSA-N
MW213.32 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine

N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine (PubChem CID 123523602) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine
PubChem CID123523602
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine
SMILESC=CC=C(/N=C/C=C)C1=CCC(CC)C=C1
InChIInChI=1S/C15H19N/c1-4-7-15(16-12-5-2)14-10-8-13(6-3)9-11-14/h4-5,7-8,10-13H,1-2,6,9H2,3H3/b15-7?,16-12+
InChIKeyCYXXPJCAIIKOCB-JJGARPFQSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine with MolForge

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Related Compounds

7,7-Dimethylquinoline
CID 129752244
7-Fluoro-6-propan-2-yl-6,7-dihydroquinoline
CID 89318114
(E)-N-[(2E,5E)-7-cyclopropyl-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 166976500
3-Butan-2-ylcyclopenta[b]pyrrole
CID 21095605
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
9bH-benzo[de]quinoline
CID 57001454
(2Z,4Z,6Z)-2,3-di(propan-2-yl)azocine
CID 58763085
5-methyl-6H-cyclopenta[b]pyridine
CID 59944708
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
8-Methyl-6,7-dihydroquinoline
CID 66607842
4-Methyl-4a,8a-dihydroquinoline
CID 67593927
(8aS)-4-methyl-4a,8a-dihydroquinoline
CID 67599998

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine?
The IUPAC name of N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine (CID 123523602) is N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine.
What is the SMILES notation for N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine?
The canonical SMILES for N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine is C=CC=C(/N=C/C=C)C1=CCC(CC)C=C1.
What is the InChIKey of N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine?
The InChIKey is CYXXPJCAIIKOCB-JJGARPFQSA-N. The full InChI is InChI=1S/C15H19N/c1-4-7-15(16-12-5-2)14-10-8-13(6-3)9-11-14/h4-5,7-8,10-13H,1-2,6,9H2,3H3/b15-7?,16-12+.
What are the key properties of N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine?
N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine has a molecular weight of 213.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylcyclohexa-1,5-dien-1-yl)buta-1,3-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 123523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).