1-methyl-3-[2-(methylamino)ethyl]urea

C5H13N3O — CID 22381232

IUPAC1-methyl-3-[2-(methylamino)ethyl]urea
SMILESCNCCNC(=O)NC
InChIInChI=1S/C5H13N3O/c1-6-3-4-8-5(9)7-2/h6H,3-4H2,1-2H3,(H2,7,8,9)
InChIKeyBQDQVJYEDIIARU-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.87
Rot. Bonds3

About 1-methyl-3-[2-(methylamino)ethyl]urea

1-methyl-3-[2-(methylamino)ethyl]urea (PubChem CID 22381232) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)ethyl]urea
PubChem CID22381232
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-methyl-3-[2-(methylamino)ethyl]urea
SMILESCNCCNC(=O)NC
InChIInChI=1S/C5H13N3O/c1-6-3-4-8-5(9)7-2/h6H,3-4H2,1-2H3,(H2,7,8,9)
InChIKeyBQDQVJYEDIIARU-UHFFFAOYSA-N
XLogP-0.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[2-(methylamino)ethyl]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-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
N-[2-(methylamino)ethyl]carbamoyl iodide
CID 153221935
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
trimethyl-[2-(methylcarbamoylamino)ethyl]azanium
CID 13379058
1-butyl-3-methylurea;hydrochloride
CID 20501295
CID 59151849
CID 59151849
1-methyl-3-nonylurea
CID 91937244
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
1-[2-(cyclobutylamino)ethyl]-3-methylurea
CID 123788370
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(methylamino)ethyl]urea (CID 22381232) is 1-methyl-3-[2-(methylamino)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(methylamino)ethyl]urea is CNCCNC(=O)NC.
What is the InChIKey of 1-methyl-3-[2-(methylamino)ethyl]urea?
The InChIKey is BQDQVJYEDIIARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-6-3-4-8-5(9)7-2/h6H,3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 1-methyl-3-[2-(methylamino)ethyl]urea?
1-methyl-3-[2-(methylamino)ethyl]urea has a molecular weight of 131.18 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)ethyl]urea is sourced from PubChem (CID 22381232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).