2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile

C10H17N3 — CID 130979620

IUPAC2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile
SMILESCC(N)(C#N)CCN1CC2CC2C1
InChIInChI=1S/C10H17N3/c1-10(12,7-11)2-3-13-5-8-4-9(8)6-13/h8-9H,2-6,12H2,1H3
InChIKeyYTICCHQJSKTGIN-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile

2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile (PubChem CID 130979620) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile
PubChem CID130979620
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile
SMILESCC(N)(C#N)CCN1CC2CC2C1
InChIInChI=1S/C10H17N3/c1-10(12,7-11)2-3-13-5-8-4-9(8)6-13/h8-9H,2-6,12H2,1H3
InChIKeyYTICCHQJSKTGIN-UHFFFAOYSA-N
XLogP0.57
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanenitrile
CID 66370572
2-amino-2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanenitrile
CID 81199812
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylbutanenitrile
CID 63165286
2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanenitrile
CID 62974570
3-(3-azabicyclo[3.1.0]hexan-3-yl)propanenitrile
CID 131025871
3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-dimethylpropanenitrile
CID 164651835
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-methylhexanenitrile
CID 79943540
2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175534
2-amino-4-(3,5-dimethylpiperidin-1-yl)-2-phenylbutanenitrile
CID 116692281
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylhexanenitrile
CID 65324959
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
2-amino-2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanenitrile
CID 64577862

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile (CID 130979620) is 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile is CC(N)(C#N)CCN1CC2CC2C1.
What is the InChIKey of 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile?
The InChIKey is YTICCHQJSKTGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(12,7-11)2-3-13-5-8-4-9(8)6-13/h8-9H,2-6,12H2,1H3.
What are the key properties of 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile?
2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile has a molecular weight of 179.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylbutanenitrile is sourced from PubChem (CID 130979620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).