3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine

C19H30N4 — CID 134921070

IUPAC3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
SMILESCCN(CC)c1c(N(CC)CC)c1=Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H30N4/c1-7-22(8-2)18-17(19(18)23(9-3)10-4)20-15-11-13-16(14-12-15)21(5)6/h11-14H,7-10H2,1-6H3
InChIKeyCBWHZUMERRBTIZ-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.55
Rot. Bonds8

About 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine

3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine (PubChem CID 134921070) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
PubChem CID134921070
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine
SMILESCCN(CC)c1c(N(CC)CC)c1=Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H30N4/c1-7-22(8-2)18-17(19(18)23(9-3)10-4)20-15-11-13-16(14-12-15)21(5)6/h11-14H,7-10H2,1-6H3
InChIKeyCBWHZUMERRBTIZ-UHFFFAOYSA-N
XLogP3.55
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-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 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
The IUPAC name of 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine (CID 134921070) is 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine is CCN(CC)c1c(N(CC)CC)c1=Nc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
The InChIKey is CBWHZUMERRBTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-7-22(8-2)18-17(19(18)23(9-3)10-4)20-15-11-13-16(14-12-15)21(5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine?
3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine has a molecular weight of 314.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]imino-1-N,1-N,2-N,2-N-tetraethylcyclopropene-1,2-diamine is sourced from PubChem (CID 134921070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).