1-amino-3-[(3-methylcyclobutyl)methyl]urea

C7H15N3O — CID 164652765

IUPAC1-amino-3-[(3-methylcyclobutyl)methyl]urea
SMILESCC1CC(CNC(=O)NN)C1
InChIInChI=1S/C7H15N3O/c1-5-2-6(3-5)4-9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyQBTNCHJSWUVEST-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.21
Rot. Bonds2

About 1-amino-3-[(3-methylcyclobutyl)methyl]urea

1-amino-3-[(3-methylcyclobutyl)methyl]urea (PubChem CID 164652765) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-amino-3-[(3-methylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-amino-3-[(3-methylcyclobutyl)methyl]urea
PubChem CID164652765
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-amino-3-[(3-methylcyclobutyl)methyl]urea
SMILESCC1CC(CNC(=O)NN)C1
InChIInChI=1S/C7H15N3O/c1-5-2-6(3-5)4-9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyQBTNCHJSWUVEST-UHFFFAOYSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(3-methylcyclobutyl)methyl]urea?
The IUPAC name of 1-amino-3-[(3-methylcyclobutyl)methyl]urea (CID 164652765) is 1-amino-3-[(3-methylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-amino-3-[(3-methylcyclobutyl)methyl]urea?
The canonical SMILES for 1-amino-3-[(3-methylcyclobutyl)methyl]urea is CC1CC(CNC(=O)NN)C1.
What is the InChIKey of 1-amino-3-[(3-methylcyclobutyl)methyl]urea?
The InChIKey is QBTNCHJSWUVEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5-2-6(3-5)4-9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11).
What are the key properties of 1-amino-3-[(3-methylcyclobutyl)methyl]urea?
1-amino-3-[(3-methylcyclobutyl)methyl]urea has a molecular weight of 157.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(3-methylcyclobutyl)methyl]urea is sourced from PubChem (CID 164652765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).