(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine

C13H20N2 — CID 157044219

IUPAC(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
SMILESCC/C(C)=C1/C=C(N(C)C)C=C/C1=N\C
InChIInChI=1S/C13H20N2/c1-6-10(2)12-9-11(15(4)5)7-8-13(12)14-3/h7-9H,6H2,1-5H3/b12-10-,14-13+
InChIKeyJGRDPVVWYJVMMT-ORNUOEEZSA-N
MW204.32 g/mol
LogP2.80
Rot. Bonds2

About (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine

(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine (PubChem CID 157044219) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
PubChem CID157044219
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
SMILESCC/C(C)=C1/C=C(N(C)C)C=C/C1=N\C
InChIInChI=1S/C13H20N2/c1-6-10(2)12-9-11(15(4)5)7-8-13(12)14-3/h7-9H,6H2,1-5H3/b12-10-,14-13+
InChIKeyJGRDPVVWYJVMMT-ORNUOEEZSA-N
XLogP2.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P-Diazodimethylaniline
CID 18183675
Pyrrolo[2,1-c][1,4]benzodiazepine
CID 66697609
p-(1-Dimethylamino ethylimino)aniline
CID 129852262
Pyrrolo[1,2-d][1,4]benzodiazepine
CID 129876712
2-(6-Diazonioiminocyclohexa-2,4-dien-1-ylidene)-1-methylpyridine
CID 102489992
1-Methylpyrroloquinoline
CID 129800346
N-ethylpyrroloindole
CID 129873132
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135027828
N,N-dimethyl-1-[(E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 135042691
2-Diethylamino-3h-acridine
CID 137346134
Azocino[1,2-a]benzo[c][1,5]diazocine
CID 164576957
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine (CID 157044219) is (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine is CC/C(C)=C1/C=C(N(C)C)C=C/C1=N\C.
What is the InChIKey of (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
The InChIKey is JGRDPVVWYJVMMT-ORNUOEEZSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-10(2)12-9-11(15(4)5)7-8-13(12)14-3/h7-9H,6H2,1-5H3/b12-10-,14-13+.
What are the key properties of (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine?
(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 157044219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).