N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide

C13H24N2O — CID 63833653

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC1C2CNCC21)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-8(13(2,3)4)5-11(16)15-12-9-6-14-7-10(9)12/h8-10,12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyOPMUADIOQSEPIJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.39
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide (PubChem CID 63833653) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide
PubChem CID63833653
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC1C2CNCC21)C(C)(C)C
InChIInChI=1S/C13H24N2O/c1-8(13(2,3)4)5-11(16)15-12-9-6-14-7-10(9)12/h8-10,12,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyOPMUADIOQSEPIJ-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
CID 79886443
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603309
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
CID 112603310
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide
CID 43594342
N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide
CID 131198216
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
3,4,4-trimethyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 55260130
3,4,4-trimethyl-N-(1-piperidin-3-ylethyl)pentanamide
CID 63834825
3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 63833043

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide (CID 63833653) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide is CC(CC(=O)NC1C2CNCC21)C(C)(C)C.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide?
The InChIKey is OPMUADIOQSEPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8(13(2,3)4)5-11(16)15-12-9-6-14-7-10(9)12/h8-10,12,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide has a molecular weight of 224.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63833653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).