1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C13H24N2O — CID 153456647

IUPAC1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@@H](C(C)(C)C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C13H24N2O/c1-8(11(2,3)4)13-7-12(13,5)6-9(15-13)10(14)16/h8-9,15H,6-7H2,1-5H3,(H2,14,16)/t8-,9?,12?,13?/m0/s1
InChIKeyLPKULSJZNWHCIB-RMTWVBNRSA-N
MW224.35 g/mol
LogP1.66
Rot. Bonds2

About 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 153456647) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID153456647
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@@H](C(C)(C)C)C12CC1(C)CC(C(N)=O)N2
InChIInChI=1S/C13H24N2O/c1-8(11(2,3)4)13-7-12(13,5)6-9(15-13)10(14)16/h8-9,15H,6-7H2,1-5H3,(H2,14,16)/t8-,9?,12?,13?/m0/s1
InChIKeyLPKULSJZNWHCIB-RMTWVBNRSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 153456647) is 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is C[C@@H](C(C)(C)C)C12CC1(C)CC(C(N)=O)N2.
What is the InChIKey of 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is LPKULSJZNWHCIB-RMTWVBNRSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(11(2,3)4)13-7-12(13,5)6-9(15-13)10(14)16/h8-9,15H,6-7H2,1-5H3,(H2,14,16)/t8-,9?,12?,13?/m0/s1.
What are the key properties of 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,3-dimethylbutan-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 153456647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).