1-amino-3-(2-methylcyclopropyl)urea

C5H11N3O — CID 62408837

IUPAC1-amino-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NN
InChIInChI=1S/C5H11N3O/c1-3-2-4(3)7-5(9)8-6/h3-4H,2,6H2,1H3,(H2,7,8,9)
InChIKeyPUFMAQDGKAKXQT-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.43
Rot. Bonds1

About 1-amino-3-(2-methylcyclopropyl)urea

1-amino-3-(2-methylcyclopropyl)urea (PubChem CID 62408837) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-amino-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-amino-3-(2-methylcyclopropyl)urea
PubChem CID62408837
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name1-amino-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NN
InChIInChI=1S/C5H11N3O/c1-3-2-4(3)7-5(9)8-6/h3-4H,2,6H2,1H3,(H2,7,8,9)
InChIKeyPUFMAQDGKAKXQT-UHFFFAOYSA-N
XLogP-0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-1-propylurea
CID 12676227
N-(Propan-2-yl)hydrazinecarboxamide
CID 13157241
3-Amino-1-cyclopropylurea
CID 21720509
3-Amino-1-(2-methylpropyl)urea
CID 23273394
N-cyclopropyl-2,2-dimethylhydrazinecarboxamide
CID 637818
3-Amino-1-butylurea
CID 12676228
1-Amino-3-butylurea;hydrochloride
CID 12676229
4-Isopropyl-semicarbazide hydrochloride
CID 13157242
1-(Dimethylamino)-3-propan-2-ylurea
CID 13610620
4-(3-Methylbutyl)semicarbazidehydrochloride
CID 19373629
3-Amino-1-(3-methylbutyl)urea
CID 19373630
1-(2-Methylhydrazinyl)-3-propan-2-ylurea
CID 21400321

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-amino-3-(2-methylcyclopropyl)urea (CID 62408837) is 1-amino-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-amino-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-amino-3-(2-methylcyclopropyl)urea is CC1CC1NC(=O)NN.
What is the InChIKey of 1-amino-3-(2-methylcyclopropyl)urea?
The InChIKey is PUFMAQDGKAKXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-2-4(3)7-5(9)8-6/h3-4H,2,6H2,1H3,(H2,7,8,9).
What are the key properties of 1-amino-3-(2-methylcyclopropyl)urea?
1-amino-3-(2-methylcyclopropyl)urea has a molecular weight of 129.16 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 62408837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).