1-amino-3-(3-methylcyclopentyl)urea

C7H15N3O — CID 114549381

IUPAC1-amino-3-(3-methylcyclopentyl)urea
SMILESCC1CCC(NC(=O)NN)C1
InChIInChI=1S/C7H15N3O/c1-5-2-3-6(4-5)9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyCZLJWLFUGPPVQU-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.35
Rot. Bonds1

About 1-amino-3-(3-methylcyclopentyl)urea

1-amino-3-(3-methylcyclopentyl)urea (PubChem CID 114549381) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-amino-3-(3-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-amino-3-(3-methylcyclopentyl)urea
PubChem CID114549381
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-amino-3-(3-methylcyclopentyl)urea
SMILESCC1CCC(NC(=O)NN)C1
InChIInChI=1S/C7H15N3O/c1-5-2-3-6(4-5)9-7(11)10-8/h5-6H,2-4,8H2,1H3,(H2,9,10,11)
InChIKeyCZLJWLFUGPPVQU-UHFFFAOYSA-N
XLogP0.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.35
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

2-amino-N-(3-methylcyclopentyl)acetamide
CID 114546114
1-(2-hydroxyethyl)-3-(3-methylcyclopentyl)urea
CID 130626358
2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
CID 165385919
2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
CID 100656188
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
2-chloro-N-(3-methylcyclopentyl)propanamide
CID 114544468
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
1-amino-3-(2-methylcyclopropyl)urea
CID 62408837
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methylcyclopentyl)urea?
The IUPAC name of 1-amino-3-(3-methylcyclopentyl)urea (CID 114549381) is 1-amino-3-(3-methylcyclopentyl)urea.
What is the SMILES notation for 1-amino-3-(3-methylcyclopentyl)urea?
The canonical SMILES for 1-amino-3-(3-methylcyclopentyl)urea is CC1CCC(NC(=O)NN)C1.
What is the InChIKey of 1-amino-3-(3-methylcyclopentyl)urea?
The InChIKey is CZLJWLFUGPPVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5-2-3-6(4-5)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-methylcyclopentyl)urea?
1-amino-3-(3-methylcyclopentyl)urea has a molecular weight of 157.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methylcyclopentyl)urea is sourced from PubChem (CID 114549381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).