N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide

C10H18N2O — CID 43594342

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O/c1-3-6(2)10(13)12-9-7-4-11-5-8(7)9/h6-9,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyULQPCTNLKJEUQW-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.37
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide (PubChem CID 43594342) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide
PubChem CID43594342
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1C2CNCC21
InChIInChI=1S/C10H18N2O/c1-3-6(2)10(13)12-9-7-4-11-5-8(7)9/h6-9,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyULQPCTNLKJEUQW-UHFFFAOYSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-2-methylbutanamide
CID 66188169
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropylpropanamide
CID 83148051
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(2S)-2-amino-N-[(2S)-1-(3-azabicyclo[3.1.0]hexan-6-ylamino)-1-oxopropan-2-yl]propanamide
CID 91473037
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 79677248
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propan-2-yloxyacetamide
CID 112603310
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,4,4-trimethylpentanamide
CID 63833653
N-(3-azabicyclo[3.1.0]hexan-6-yl)dodecanamide
CID 65427507
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-propoxyacetamide
CID 107939755
methyl 2-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 61459191

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide (CID 43594342) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide is CCC(C)C(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide?
The InChIKey is ULQPCTNLKJEUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-6(2)10(13)12-9-7-4-11-5-8(7)9/h6-9,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylbutanamide has a molecular weight of 182.27 g/mol, XLogP of 0.37, 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)-2-methylbutanamide is sourced from PubChem (CID 43594342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).