ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane

C11H23N — CID 142521754

IUPACethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC.CC(C)C12CC1CN(C)C2
InChIInChI=1S/C9H17N.C2H6/c1-7(2)9-4-8(9)5-10(3)6-9;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyPWHYICLIIMKGMT-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.62
Rot. Bonds1

About ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane

ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 142521754) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID142521754
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC.CC(C)C12CC1CN(C)C2
InChIInChI=1S/C9H17N.C2H6/c1-7(2)9-4-8(9)5-10(3)6-9;1-2/h7-8H,4-6H2,1-3H3;1-2H3
InChIKeyPWHYICLIIMKGMT-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
CID 171796329
3-tert-butyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 166020567
(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 11983814
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639
1-methyl-4-(1-propan-2-ylcyclopropyl)piperidine
CID 177136653
1,3-dimethyl-3-azabicyclo[3.1.1]heptane;ethane
CID 168882588
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
CID 162620550
(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 95565705

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 142521754) is ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC.CC(C)C12CC1CN(C)C2.
What is the InChIKey of ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is PWHYICLIIMKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-7(2)9-4-8(9)5-10(3)6-9;1-2/h7-8H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 169.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).