2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide

C9H20N4O — CID 90245670

IUPAC2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(/N=C/N)C(=O)NCCCN(C)C
InChIInChI=1S/C9H20N4O/c1-8(12-7-10)9(14)11-5-4-6-13(2)3/h7-8H,4-6H2,1-3H3,(H2,10,12)(H,11,14)
InChIKeyXFDCDHXDGKZDRC-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.57
Rot. Bonds6

About 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide

2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 90245670) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID90245670
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(/N=C/N)C(=O)NCCCN(C)C
InChIInChI=1S/C9H20N4O/c1-8(12-7-10)9(14)11-5-4-6-13(2)3/h7-8H,4-6H2,1-3H3,(H2,10,12)(H,11,14)
InChIKeyXFDCDHXDGKZDRC-UHFFFAOYSA-N
XLogP-0.57
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide 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 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide (CID 90245670) is 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide is CC(/N=C/N)C(=O)NCCCN(C)C.
What is the InChIKey of 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is XFDCDHXDGKZDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-8(12-7-10)9(14)11-5-4-6-13(2)3/h7-8H,4-6H2,1-3H3,(H2,10,12)(H,11,14).
What are the key properties of 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide?
2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 200.29 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylideneamino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 90245670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).