(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine

C12H17N3 — CID 142230850

IUPAC(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine
SMILESC=N/C(=C1/C=CC=C/C1=N\CC)N(C)C
InChIInChI=1S/C12H17N3/c1-5-14-11-9-7-6-8-10(11)12(13-2)15(3)4/h6-9H,2,5H2,1,3-4H3/b12-10+,14-11+
InChIKeyYKKJDHKVZIQURZ-NCPBJGSTSA-N
MW203.29 g/mol
LogP2.05
Rot. Bonds3

About (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine

(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine (PubChem CID 142230850) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine.

Molecular Properties

Compound Name(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine
PubChem CID142230850
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine
SMILESC=N/C(=C1/C=CC=C/C1=N\CC)N(C)C
InChIInChI=1S/C12H17N3/c1-5-14-11-9-7-6-8-10(11)12(13-2)15(3)4/h6-9H,2,5H2,1,3-4H3/b12-10+,14-11+
InChIKeyYKKJDHKVZIQURZ-NCPBJGSTSA-N
XLogP2.05
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine with MolForge

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Related Compounds

Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
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
N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
CID 20796100
2,3-dimethyl-2H-quinazoline
CID 23503296
1,2-dimethyl-4-phenyl-2H-imidazol-1-ium;iridium
CID 58454374
1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one
CID 59952203
N-methyl-N-[(1E,3E)-2-methyl-1-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
CID 88224957
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine?
The IUPAC name of (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine (CID 142230850) is (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine.
What is the SMILES notation for (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine?
The canonical SMILES for (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine is C=N/C(=C1/C=CC=C/C1=N\CC)N(C)C.
What is the InChIKey of (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine?
The InChIKey is YKKJDHKVZIQURZ-NCPBJGSTSA-N. The full InChI is InChI=1S/C12H17N3/c1-5-14-11-9-7-6-8-10(11)12(13-2)15(3)4/h6-9H,2,5H2,1,3-4H3/b12-10+,14-11+.
What are the key properties of (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine?
(1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine has a molecular weight of 203.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(6-ethyliminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethyl-1-(methylideneamino)methanamine is sourced from PubChem (CID 142230850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).