(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine

C12H16N2 — CID 129169872

IUPAC(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
SMILESC=C/N=C(C)/C=C1/C=CC(NC)=CC1
InChIInChI=1S/C12H16N2/c1-4-14-10(2)9-11-5-7-12(13-3)8-6-11/h4-5,7-9,13H,1,6H2,2-3H3/b11-9-,14-10+
InChIKeyFLZWAJRTMDIBEU-JIYPUEFQSA-N
MW188.27 g/mol
LogP2.58
Rot. Bonds3

About (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine

(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 129169872) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID129169872
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
SMILESC=C/N=C(C)/C=C1/C=CC(NC)=CC1
InChIInChI=1S/C12H16N2/c1-4-14-10(2)9-11-5-7-12(13-3)8-6-11/h4-5,7-9,13H,1,6H2,2-3H3/b11-9-,14-10+
InChIKeyFLZWAJRTMDIBEU-JIYPUEFQSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5h-Pyrrolo[2,3-f]indole
CID 69450160
Pyrido[3,2-c]azepine
CID 129706333
4,5-Dimethyl-11H-pyrido[4,3-a]carbazole
CID 382590
(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(1E,3E)-N-[3-[[(E)-4-ethenylhex-4-en-3-ylidene]amino]prop-1-en-2-yl]-4-fluorohexa-1,3,5-trien-1-amine
CID 135161473
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(1E,3E)-4-fluoro-N-[(Z)-4-methyliminopent-2-en-2-yl]hexa-1,3,5-trien-1-amine
CID 156184118
3-(4-Fluorocyclohexa-1,5-dien-1-yl)iminobut-1-ene-1,2-diamine
CID 173910398

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine (CID 129169872) is (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine is C=C/N=C(C)/C=C1/C=CC(NC)=CC1.
What is the InChIKey of (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is FLZWAJRTMDIBEU-JIYPUEFQSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-14-10(2)9-11-5-7-12(13-3)8-6-11/h4-5,7-9,13H,1,6H2,2-3H3/b11-9-,14-10+.
What are the key properties of (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine?
(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 129169872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).