1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea

C15H27N3O — CID 25415305

IUPAC1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C15H27N3O/c19-15(17-11-5-2-1-3-6-11)18-14-9-12-7-4-8-13(10-14)16-12/h11-14,16H,1-10H2,(H2,17,18,19)/t12-,13+,14?
InChIKeyINCISGQVXFFBJL-PBWFPOADSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds2

About 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea

1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea (PubChem CID 25415305) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea
PubChem CID25415305
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C15H27N3O/c19-15(17-11-5-2-1-3-6-11)18-14-9-12-7-4-8-13(10-14)16-12/h11-14,16H,1-10H2,(H2,17,18,19)/t12-,13+,14?
InChIKeyINCISGQVXFFBJL-PBWFPOADSA-N
XLogP2.29
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-(8-azabicyclo[3.2.1]octan-3-yl)cyclooctanecarboxamide
CID 65023449
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
1-cyclohexyl-3-(1-oxothian-4-yl)urea
CID 116657894
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
N-cyclohexylcarbamoyl chloride
CID 22252134
1-cyclohexyl-3-[(1S,5S)-8-(cyclohexylcarbamothioyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 98111296
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2,2-difluoroacetamide
CID 130690212

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea?
The IUPAC name of 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea (CID 25415305) is 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea is O=C(NC1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)N2.
What is the InChIKey of 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea?
The InChIKey is INCISGQVXFFBJL-PBWFPOADSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15(17-11-5-2-1-3-6-11)18-14-9-12-7-4-8-13(10-14)16-12/h11-14,16H,1-10H2,(H2,17,18,19)/t12-,13+,14?.
What are the key properties of 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea?
1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea has a molecular weight of 265.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-9-azabicyclo[3.3.1]nonan-3-yl]-3-cyclohexylurea is sourced from PubChem (CID 25415305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).