1,3-diamino-1-(2-butylcyclohexyl)urea

C11H24N4O — CID 174858599

IUPAC1,3-diamino-1-(2-butylcyclohexyl)urea
SMILESCCCCC1CCCCC1N(N)C(=O)NN
InChIInChI=1S/C11H24N4O/c1-2-3-6-9-7-4-5-8-10(9)15(13)11(16)14-12/h9-10H,2-8,12-13H2,1H3,(H,14,16)
InChIKeyCOLNURXKQMKKIV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.49
Rot. Bonds4

About 1,3-diamino-1-(2-butylcyclohexyl)urea

1,3-diamino-1-(2-butylcyclohexyl)urea (PubChem CID 174858599) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,3-diamino-1-(2-butylcyclohexyl)urea.

Molecular Properties

Compound Name1,3-diamino-1-(2-butylcyclohexyl)urea
PubChem CID174858599
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1,3-diamino-1-(2-butylcyclohexyl)urea
SMILESCCCCC1CCCCC1N(N)C(=O)NN
InChIInChI=1S/C11H24N4O/c1-2-3-6-9-7-4-5-8-10(9)15(13)11(16)14-12/h9-10H,2-8,12-13H2,1H3,(H,14,16)
InChIKeyCOLNURXKQMKKIV-UHFFFAOYSA-N
XLogP1.49
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 1,3-diamino-1-(2-butylcyclohexyl)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

1,3-diamino-1-cycloheptylurea
CID 174613757
1-[(2-butylcyclohexyl)-prop-2-enylamino]propan-2-one
CID 170057858
dimethyl 2-[(1R,2R)-2-butylcyclohexyl]propanedioate
CID 15491386
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
2-butyl-N-methyl-N-propoxycyclohexan-1-amine
CID 174677162
3-[(1R,2S)-2-butylcyclopentyl]-1-ethyl-1-methylurea
CID 95338254
(2-butylcyclopentyl)carbamic acid
CID 142463044
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
2-(2-butylcyclohexyl)prop-2-enoic acid
CID 91543780
N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 102639138
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
2-[[2-(aminomethyl)cyclohexyl]-butylamino]acetamide
CID 55002703

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-(2-butylcyclohexyl)urea?
The IUPAC name of 1,3-diamino-1-(2-butylcyclohexyl)urea (CID 174858599) is 1,3-diamino-1-(2-butylcyclohexyl)urea.
What is the SMILES notation for 1,3-diamino-1-(2-butylcyclohexyl)urea?
The canonical SMILES for 1,3-diamino-1-(2-butylcyclohexyl)urea is CCCCC1CCCCC1N(N)C(=O)NN.
What is the InChIKey of 1,3-diamino-1-(2-butylcyclohexyl)urea?
The InChIKey is COLNURXKQMKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-3-6-9-7-4-5-8-10(9)15(13)11(16)14-12/h9-10H,2-8,12-13H2,1H3,(H,14,16).
What are the key properties of 1,3-diamino-1-(2-butylcyclohexyl)urea?
1,3-diamino-1-(2-butylcyclohexyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(2-butylcyclohexyl)urea is sourced from PubChem (CID 174858599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).