1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine

C11H22N2 — CID 131185792

IUPAC1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine
SMILESCCC(N)CN1CC2C(C1)C2(C)C
InChIInChI=1S/C11H22N2/c1-4-8(12)5-13-6-9-10(7-13)11(9,2)3/h8-10H,4-7,12H2,1-3H3
InChIKeyDYGSEDUCYXFONI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.31
Rot. Bonds3

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine (PubChem CID 131185792) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine
PubChem CID131185792
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine
SMILESCCC(N)CN1CC2C(C1)C2(C)C
InChIInChI=1S/C11H22N2/c1-4-8(12)5-13-6-9-10(7-13)11(9,2)3/h8-10H,4-7,12H2,1-3H3
InChIKeyDYGSEDUCYXFONI-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propylazetidin-1-yl)butan-2-amine
CID 79678155
(2R)-1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)butan-2-amine
CID 130623539
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
CID 131141250
1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine
CID 79678512
1-(8-azaspiro[4.5]decan-8-yl)butan-2-amine
CID 63160833
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-2-amine
CID 63150745
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine
CID 173029681
1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
CID 67575951
3-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-ol
CID 130708552
6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane
CID 130668553

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine?
The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine (CID 131185792) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine.
What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine?
The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine is CCC(N)CN1CC2C(C1)C2(C)C.
What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine?
The InChIKey is DYGSEDUCYXFONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-8(12)5-13-6-9-10(7-13)11(9,2)3/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine?
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-2-amine is sourced from PubChem (CID 131185792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).