1-(ethyliminomethylideneamino)propane-1,1-diamine

C6H14N4 — CID 18185402

IUPAC1-(ethyliminomethylideneamino)propane-1,1-diamine
SMILESCCN=C=NC(N)(N)CC
InChIInChI=1S/C6H14N4/c1-3-6(7,8)10-5-9-4-2/h3-4,7-8H2,1-2H3
InChIKeyQXMOUHJYIXTPGN-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.16
Rot. Bonds3

About 1-(ethyliminomethylideneamino)propane-1,1-diamine

1-(ethyliminomethylideneamino)propane-1,1-diamine (PubChem CID 18185402) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1-(ethyliminomethylideneamino)propane-1,1-diamine.

Molecular Properties

Compound Name1-(ethyliminomethylideneamino)propane-1,1-diamine
PubChem CID18185402
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1-(ethyliminomethylideneamino)propane-1,1-diamine
SMILESCCN=C=NC(N)(N)CC
InChIInChI=1S/C6H14N4/c1-3-6(7,8)10-5-9-4-2/h3-4,7-8H2,1-2H3
InChIKeyQXMOUHJYIXTPGN-UHFFFAOYSA-N
XLogP0.16
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(ethyliminomethylideneamino)propane-1,1-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 1-(ethyliminomethylideneamino)propane-1,1-diamine?
The IUPAC name of 1-(ethyliminomethylideneamino)propane-1,1-diamine (CID 18185402) is 1-(ethyliminomethylideneamino)propane-1,1-diamine.
What is the SMILES notation for 1-(ethyliminomethylideneamino)propane-1,1-diamine?
The canonical SMILES for 1-(ethyliminomethylideneamino)propane-1,1-diamine is CCN=C=NC(N)(N)CC.
What is the InChIKey of 1-(ethyliminomethylideneamino)propane-1,1-diamine?
The InChIKey is QXMOUHJYIXTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-3-6(7,8)10-5-9-4-2/h3-4,7-8H2,1-2H3.
What are the key properties of 1-(ethyliminomethylideneamino)propane-1,1-diamine?
1-(ethyliminomethylideneamino)propane-1,1-diamine has a molecular weight of 142.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyliminomethylideneamino)propane-1,1-diamine is sourced from PubChem (CID 18185402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).