2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine

C12H18N4 — CID 166993755

IUPAC2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESC/N=C/C(=CN)N(C)c1ccccc1NC
InChIInChI=1S/C12H18N4/c1-14-9-10(8-13)16(3)12-7-5-4-6-11(12)15-2/h4-9,15H,13H2,1-3H3/b10-8?,14-9+
InChIKeyQVHQVGBMZZPVMV-ISUDJSGRSA-N
MW218.30 g/mol
LogP1.67
Rot. Bonds4

About 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine

2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 166993755) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID166993755
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESC/N=C/C(=CN)N(C)c1ccccc1NC
InChIInChI=1S/C12H18N4/c1-14-9-10(8-13)16(3)12-7-5-4-6-11(12)15-2/h4-9,15H,13H2,1-3H3/b10-8?,14-9+
InChIKeyQVHQVGBMZZPVMV-ISUDJSGRSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine (CID 166993755) is 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine is C/N=C/C(=CN)N(C)c1ccccc1NC.
What is the InChIKey of 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is QVHQVGBMZZPVMV-ISUDJSGRSA-N. The full InChI is InChI=1S/C12H18N4/c1-14-9-10(8-13)16(3)12-7-5-4-6-11(12)15-2/h4-9,15H,13H2,1-3H3/b10-8?,14-9+.
What are the key properties of 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine?
2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 166993755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).