1-amino-3-(cyclobutylmethyl)urea

C6H13N3O — CID 43298909

IUPAC1-amino-3-(cyclobutylmethyl)urea
SMILESNNC(=O)NCC1CCC1
InChIInChI=1S/C6H13N3O/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyHDMOELJOTPARRR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.04
Rot. Bonds2

About 1-amino-3-(cyclobutylmethyl)urea

1-amino-3-(cyclobutylmethyl)urea (PubChem CID 43298909) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-amino-3-(cyclobutylmethyl)urea.

Molecular Properties

Compound Name1-amino-3-(cyclobutylmethyl)urea
PubChem CID43298909
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-amino-3-(cyclobutylmethyl)urea
SMILESNNC(=O)NCC1CCC1
InChIInChI=1S/C6H13N3O/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKeyHDMOELJOTPARRR-UHFFFAOYSA-N
XLogP-0.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.04
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-(2-methylpropyl)urea
CID 23273394
1-Amino-3-[(3,3-difluorocyclobutyl)methyl]urea
CID 130847628
4-(3-Methylbutyl)semicarbazidehydrochloride
CID 19373629
3-Amino-1-(3-methylbutyl)urea
CID 19373630
1-Amino-3-pentylurea
CID 21721286
3-Amino-1-(cyclopropylmethyl)urea
CID 43164048
1-Amino-3-cyclobutylurea
CID 62416188
1-Amino-3-(2-methylbutyl)urea
CID 62691862
1-Amino-3-(cyclopentylmethyl)urea
CID 43371340
3-Amino-1-(cyclobutylmethyl)-1-methylurea
CID 62854958
1-Amino-3-(4-methylpentyl)urea
CID 63004667
1-Amino-3-(2,3-dimethylbutyl)urea
CID 64596628

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(cyclobutylmethyl)urea?
The IUPAC name of 1-amino-3-(cyclobutylmethyl)urea (CID 43298909) is 1-amino-3-(cyclobutylmethyl)urea.
What is the SMILES notation for 1-amino-3-(cyclobutylmethyl)urea?
The canonical SMILES for 1-amino-3-(cyclobutylmethyl)urea is NNC(=O)NCC1CCC1.
What is the InChIKey of 1-amino-3-(cyclobutylmethyl)urea?
The InChIKey is HDMOELJOTPARRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10).
What are the key properties of 1-amino-3-(cyclobutylmethyl)urea?
1-amino-3-(cyclobutylmethyl)urea has a molecular weight of 143.19 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(cyclobutylmethyl)urea is sourced from PubChem (CID 43298909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).