1-(2-aminocyclohexyl)-3-cyclohexylurea

C13H25N3O — CID 61036875

IUPAC1-(2-aminocyclohexyl)-3-cyclohexylurea
SMILESNC1CCCCC1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h10-12H,1-9,14H2,(H2,15,16,17)
InChIKeyIICXBQIPJXUOSN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds2

About 1-(2-aminocyclohexyl)-3-cyclohexylurea

1-(2-aminocyclohexyl)-3-cyclohexylurea (PubChem CID 61036875) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-3-cyclohexylurea
PubChem CID61036875
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-aminocyclohexyl)-3-cyclohexylurea
SMILESNC1CCCCC1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h10-12H,1-9,14H2,(H2,15,16,17)
InChIKeyIICXBQIPJXUOSN-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
CID 102724961
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid
CID 70341778
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
1-(2-aminocyclopentyl)-3-tert-butylurea
CID 63251704
1-N-cyclopentylcycloheptane-1,2-diamine
CID 82933043
N-(2-aminocyclohexyl)propanamide
CID 61036997
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-aminocyclohexyl)-3-cyclohexylurea (CID 61036875) is 1-(2-aminocyclohexyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-aminocyclohexyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-aminocyclohexyl)-3-cyclohexylurea is NC1CCCCC1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-aminocyclohexyl)-3-cyclohexylurea?
The InChIKey is IICXBQIPJXUOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h10-12H,1-9,14H2,(H2,15,16,17).
What are the key properties of 1-(2-aminocyclohexyl)-3-cyclohexylurea?
1-(2-aminocyclohexyl)-3-cyclohexylurea has a molecular weight of 239.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-3-cyclohexylurea is sourced from PubChem (CID 61036875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).