N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine

C13H20N4 — CID 143956371

IUPACN'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILES[H]/N=C1\C=CC=C\C1=C(\N=C)N(C)CCN(C)C
InChIInChI=1S/C13H20N4/c1-15-13(17(4)10-9-16(2)3)11-7-5-6-8-12(11)14/h5-8,14H,1,9-10H2,2-4H3/b13-11+,14-12+
InChIKeyGTPFTUDZYUXHAC-PHEQNACWSA-N
MW232.33 g/mol
LogP1.54
Rot. Bonds5

About N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 143956371) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID143956371
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILES[H]/N=C1\C=CC=C\C1=C(\N=C)N(C)CCN(C)C
InChIInChI=1S/C13H20N4/c1-15-13(17(4)10-9-16(2)3)11-7-5-6-8-12(11)14/h5-8,14H,1,9-10H2,2-4H3/b13-11+,14-12+
InChIKeyGTPFTUDZYUXHAC-PHEQNACWSA-N
XLogP1.54
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 143956371) is N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine is [H]/N=C1\C=CC=C\C1=C(\N=C)N(C)CCN(C)C.
What is the InChIKey of N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is GTPFTUDZYUXHAC-PHEQNACWSA-N. The full InChI is InChI=1S/C13H20N4/c1-15-13(17(4)10-9-16(2)3)11-7-5-6-8-12(11)14/h5-8,14H,1,9-10H2,2-4H3/b13-11+,14-12+.
What are the key properties of N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)-(methylideneamino)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 143956371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).