3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane

C12H25N — CID 177054148

IUPAC3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CCC(C)C1CC2CC2N1C
InChIInChI=1S/C10H19N.C2H6/c1-4-7(2)9-5-8-6-10(8)11(9)3;1-2/h7-10H,4-6H2,1-3H3;1-2H3
InChIKeyWYTUTPBFXCXXBT-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds2

About 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane

3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane (PubChem CID 177054148) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane.

Molecular Properties

Compound Name3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane
PubChem CID177054148
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CCC(C)C1CC2CC2N1C
InChIInChI=1S/C10H19N.C2H6/c1-4-7(2)9-5-8-6-10(8)11(9)3;1-2/h7-10H,4-6H2,1-3H3;1-2H3
InChIKeyWYTUTPBFXCXXBT-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3S,5R)-2-methyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 122451380
bicyclo[1.1.0]butane;ethane;2-methylbutane
CID 142057154
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane
CID 149175379
2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2-butan-2-yl-2-azabicyclo[3.1.0]hexane
CID 130976839
2-butan-2-yl-1-hydroxypiperidine
CID 15640781
3-methyl-1-(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)butan-1-one
CID 176648045
butan-2-ylcyclopentane;ethane
CID 143236269
butan-2-ylcyclohexane;ethane
CID 143005290
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane?
The IUPAC name of 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane (CID 177054148) is 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane.
What is the SMILES notation for 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane?
The canonical SMILES for 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane is CC.CCC(C)C1CC2CC2N1C.
What is the InChIKey of 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane?
The InChIKey is WYTUTPBFXCXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-4-7(2)9-5-8-6-10(8)11(9)3;1-2/h7-10H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane?
3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane has a molecular weight of 183.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane is sourced from PubChem (CID 177054148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).