1-amino-3-(4-ethylcyclohexyl)urea

C9H19N3O — CID 61468290

IUPAC1-amino-3-(4-ethylcyclohexyl)urea
SMILESCCC1CCC(NC(=O)NN)CC1
InChIInChI=1S/C9H19N3O/c1-2-7-3-5-8(6-4-7)11-9(13)12-10/h7-8H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyAFFLPYXSSCQUDD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.13
Rot. Bonds2

About 1-amino-3-(4-ethylcyclohexyl)urea

1-amino-3-(4-ethylcyclohexyl)urea (PubChem CID 61468290) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-amino-3-(4-ethylcyclohexyl)urea.

Molecular Properties

Compound Name1-amino-3-(4-ethylcyclohexyl)urea
PubChem CID61468290
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-amino-3-(4-ethylcyclohexyl)urea
SMILESCCC1CCC(NC(=O)NN)CC1
InChIInChI=1S/C9H19N3O/c1-2-7-3-5-8(6-4-7)11-9(13)12-10/h7-8H,2-6,10H2,1H3,(H2,11,12,13)
InChIKeyAFFLPYXSSCQUDD-UHFFFAOYSA-N
XLogP1.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.13
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

N-(4-ethylcyclohexyl)-2-hydrazinyl-2-oxoacetamide
CID 61468289
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
N-(4-ethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429662
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-ethylcyclohexyl)urea?
The IUPAC name of 1-amino-3-(4-ethylcyclohexyl)urea (CID 61468290) is 1-amino-3-(4-ethylcyclohexyl)urea.
What is the SMILES notation for 1-amino-3-(4-ethylcyclohexyl)urea?
The canonical SMILES for 1-amino-3-(4-ethylcyclohexyl)urea is CCC1CCC(NC(=O)NN)CC1.
What is the InChIKey of 1-amino-3-(4-ethylcyclohexyl)urea?
The InChIKey is AFFLPYXSSCQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-7-3-5-8(6-4-7)11-9(13)12-10/h7-8H,2-6,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(4-ethylcyclohexyl)urea?
1-amino-3-(4-ethylcyclohexyl)urea has a molecular weight of 185.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-ethylcyclohexyl)urea is sourced from PubChem (CID 61468290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).