1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea

C11H21N3O — CID 102724961

IUPAC1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
SMILESN[C@@H]1CCCC[C@H]1NC(=O)NC1CCC1
InChIInChI=1S/C11H21N3O/c12-9-6-1-2-7-10(9)14-11(15)13-8-4-3-5-8/h8-10H,1-7,12H2,(H2,13,14,15)/t9-,10-/m1/s1
InChIKeyQZISHMLKIVAJCJ-NXEZZACHSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds2

About 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea

1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea (PubChem CID 102724961) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
PubChem CID102724961
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
SMILESN[C@@H]1CCCC[C@H]1NC(=O)NC1CCC1
InChIInChI=1S/C11H21N3O/c12-9-6-1-2-7-10(9)14-11(15)13-8-4-3-5-8/h8-10H,1-7,12H2,(H2,13,14,15)/t9-,10-/m1/s1
InChIKeyQZISHMLKIVAJCJ-NXEZZACHSA-N
XLogP1.11
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
1-(2-aminocyclopentyl)-3-tert-butylurea
CID 63251704
[(1S,2R)-2-aminocyclohexyl]carbamoylphosphonous acid
CID 70341778
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
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-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea?
The IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea (CID 102724961) is 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea?
The canonical SMILES for 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea is N[C@@H]1CCCC[C@H]1NC(=O)NC1CCC1.
What is the InChIKey of 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea?
The InChIKey is QZISHMLKIVAJCJ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21N3O/c12-9-6-1-2-7-10(9)14-11(15)13-8-4-3-5-8/h8-10H,1-7,12H2,(H2,13,14,15)/t9-,10-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea?
1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea has a molecular weight of 211.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea is sourced from PubChem (CID 102724961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).