[3-(dimethylamino)propylamino]urea

C6H16N4O — CID 118451247

IUPAC[3-(dimethylamino)propylamino]urea
SMILESCN(C)CCCNNC(N)=O
InChIInChI=1S/C6H16N4O/c1-10(2)5-3-4-8-9-6(7)11/h8H,3-5H2,1-2H3,(H3,7,9,11)
InChIKeyNHQVCRPBJLXPLI-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.89
Rot. Bonds5

About [3-(dimethylamino)propylamino]urea

[3-(dimethylamino)propylamino]urea (PubChem CID 118451247) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is [3-(dimethylamino)propylamino]urea.

Molecular Properties

Compound Name[3-(dimethylamino)propylamino]urea
PubChem CID118451247
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name[3-(dimethylamino)propylamino]urea
SMILESCN(C)CCCNNC(N)=O
InChIInChI=1S/C6H16N4O/c1-10(2)5-3-4-8-9-6(7)11/h8H,3-5H2,1-2H3,(H3,7,9,11)
InChIKeyNHQVCRPBJLXPLI-UHFFFAOYSA-N
XLogP-0.89
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(dimethylamino)propylamino]urea with MolForge

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

Launch Full Analysis

Related Compounds

propylaminourea
CID 55291175
2-(dimethylamino)ethylurea
CID 16785331
N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
2-[3-(dimethylamino)propylamino]oxyacetamide
CID 114525260
3-(dimethylamino)propylsulfanylurea
CID 174340233
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 139534789
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)propylamino]urea?
The IUPAC name of [3-(dimethylamino)propylamino]urea (CID 118451247) is [3-(dimethylamino)propylamino]urea.
What is the SMILES notation for [3-(dimethylamino)propylamino]urea?
The canonical SMILES for [3-(dimethylamino)propylamino]urea is CN(C)CCCNNC(N)=O.
What is the InChIKey of [3-(dimethylamino)propylamino]urea?
The InChIKey is NHQVCRPBJLXPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O/c1-10(2)5-3-4-8-9-6(7)11/h8H,3-5H2,1-2H3,(H3,7,9,11).
What are the key properties of [3-(dimethylamino)propylamino]urea?
[3-(dimethylamino)propylamino]urea has a molecular weight of 160.22 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)propylamino]urea is sourced from PubChem (CID 118451247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).