(1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C15H26N2O — CID 86293316

IUPAC(1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-15(2,10-6-4-3-5-7-10)17-14(18)13-11-8-16-9-12(11)13/h10-13,16H,3-9H2,1-2H3,(H,17,18)/t11-,12+,13?
InChIKeyAEELGIKZECLQKP-FUNVUKJBSA-N
MW250.39 g/mol
LogP1.93
Rot. Bonds3

About (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86293316) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86293316
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-15(2,10-6-4-3-5-7-10)17-14(18)13-11-8-16-9-12(11)13/h10-13,16H,3-9H2,1-2H3,(H,17,18)/t11-,12+,13?
InChIKeyAEELGIKZECLQKP-FUNVUKJBSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86293316) is (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCCCC1.
What is the InChIKey of (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is AEELGIKZECLQKP-FUNVUKJBSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,10-6-4-3-5-7-10)17-14(18)13-11-8-16-9-12(11)13/h10-13,16H,3-9H2,1-2H3,(H,17,18)/t11-,12+,13?.
What are the key properties of (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-(2-cyclohexylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86293316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).