(3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine

C9H14N2 — CID 163897363

IUPAC(3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine
SMILESC=C/C(=N\C)C(=CC)C(=C)N
InChIInChI=1S/C9H14N2/c1-5-8(7(3)10)9(6-2)11-4/h5-6H,2-3,10H2,1,4H3/b8-5+,11-9+
InChIKeyQGVHYMWWLYRZPJ-OSODFHRSSA-N
MW150.22 g/mol
LogP1.66
Rot. Bonds3

About (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine

(3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine (PubChem CID 163897363) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine
PubChem CID163897363
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine
SMILESC=C/C(=N\C)C(=CC)C(=C)N
InChIInChI=1S/C9H14N2/c1-5-8(7(3)10)9(6-2)11-4/h5-6H,2-3,10H2,1,4H3/b8-5+,11-9+
InChIKeyQGVHYMWWLYRZPJ-OSODFHRSSA-N
XLogP1.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.66
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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Related Compounds

(5Z)-3-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876700
(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876767
(5E)-4-(C,N-dimethylcarbonimidoyl)-6-fluoro-2-methylocta-1,3,5,7-tetraen-3-amine
CID 173707405
5-Ethenyl-7-fluoro-2,3-dimethyl-8-methyliminonona-2,4,6-trien-4-amine
CID 173761910
Methyl-2-amino-2,4,6-cycloheptatrieneimine
CID 129674376
2,3-dimethyl-2H-indol-7-amine
CID 57886642
(Z)-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]but-2-en-2-amine
CID 68086216
2-Methyl-3,6-dimethylidenepyridine
CID 70499080
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
2-Ethyl-4-methylideneindol-3-amine
CID 88747308
2-methyl-2H-indol-4-amine
CID 89155171
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine?
The IUPAC name of (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine (CID 163897363) is (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine.
What is the SMILES notation for (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine?
The canonical SMILES for (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine is C=C/C(=N\C)C(=CC)C(=C)N.
What is the InChIKey of (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine?
The InChIKey is QGVHYMWWLYRZPJ-OSODFHRSSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(7(3)10)9(6-2)11-4/h5-6H,2-3,10H2,1,4H3/b8-5+,11-9+.
What are the key properties of (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine?
(3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-4-methyliminohexa-1,5-dien-2-amine is sourced from PubChem (CID 163897363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).