1-(diaminomethylidene)-3-(2-methylpropyl)urea

C6H14N4O — CID 18722015

IUPAC1-(diaminomethylidene)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N=C(N)N
InChIInChI=1S/C6H14N4O/c1-4(2)3-9-6(11)10-5(7)8/h4H,3H2,1-2H3,(H5,7,8,9,10,11)
InChIKeyJRLYQNHBBKZOLV-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.37
Rot. Bonds2

About 1-(diaminomethylidene)-3-(2-methylpropyl)urea

1-(diaminomethylidene)-3-(2-methylpropyl)urea (PubChem CID 18722015) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-(2-methylpropyl)urea
PubChem CID18722015
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name1-(diaminomethylidene)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N=C(N)N
InChIInChI=1S/C6H14N4O/c1-4(2)3-9-6(11)10-5(7)8/h4H,3H2,1-2H3,(H5,7,8,9,10,11)
InChIKeyJRLYQNHBBKZOLV-UHFFFAOYSA-N
XLogP-0.37
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(diaminomethylidene)-3-(2-methylpropyl)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

2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
2-(1-aminoethylideneamino)-N-(2-methylpropyl)acetamide
CID 115612389
N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018
ethane;N-(2-methylpropyl)acetamide
CID 142232237
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
1-(1-aminoethenyl)-3-(2-methylpropyl)urea
CID 18721993
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
methyl 5-(2-methylpropylamino)-4,5-dioxopentanoate
CID 166744253
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(diaminomethylidene)-3-(2-methylpropyl)urea (CID 18722015) is 1-(diaminomethylidene)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(diaminomethylidene)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(diaminomethylidene)-3-(2-methylpropyl)urea is CC(C)CNC(=O)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-3-(2-methylpropyl)urea?
The InChIKey is JRLYQNHBBKZOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-4(2)3-9-6(11)10-5(7)8/h4H,3H2,1-2H3,(H5,7,8,9,10,11).
What are the key properties of 1-(diaminomethylidene)-3-(2-methylpropyl)urea?
1-(diaminomethylidene)-3-(2-methylpropyl)urea has a molecular weight of 158.20 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-(2-methylpropyl)urea is sourced from PubChem (CID 18722015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).