(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine

C17H24N2 — CID 89001112

IUPAC(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine
SMILESC=C/N=C(/C=C(\N)C=C)CCC1(CC)C=CC=CC1
InChIInChI=1S/C17H24N2/c1-4-15(18)14-16(19-6-3)10-13-17(5-2)11-8-7-9-12-17/h4,6-9,11,14H,1,3,5,10,12-13,18H2,2H3/b15-14-,19-16+
InChIKeyHFWRSKYJOQPQAR-BGEDMJAYSA-N
MW256.39 g/mol
LogP4.29
Rot. Bonds7

About (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine

(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine (PubChem CID 89001112) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine
PubChem CID89001112
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine
SMILESC=C/N=C(/C=C(\N)C=C)CCC1(CC)C=CC=CC1
InChIInChI=1S/C17H24N2/c1-4-15(18)14-16(19-6-3)10-13-17(5-2)11-8-7-9-12-17/h4,6-9,11,14H,1,3,5,10,12-13,18H2,2H3/b15-14-,19-16+
InChIKeyHFWRSKYJOQPQAR-BGEDMJAYSA-N
XLogP4.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine?
The IUPAC name of (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine (CID 89001112) is (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine is C=C/N=C(/C=C(\N)C=C)CCC1(CC)C=CC=CC1.
What is the InChIKey of (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine?
The InChIKey is HFWRSKYJOQPQAR-BGEDMJAYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-15(18)14-16(19-6-3)10-13-17(5-2)11-8-7-9-12-17/h4,6-9,11,14H,1,3,5,10,12-13,18H2,2H3/b15-14-,19-16+.
What are the key properties of (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine?
(3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine has a molecular weight of 256.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethenylimino-7-(1-ethylcyclohexa-2,4-dien-1-yl)hepta-1,3-dien-3-amine is sourced from PubChem (CID 89001112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).