3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane

C13H25N — CID 168740489

IUPAC3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CCN1CC2C(C1)C2C(C)C
InChIInChI=1S/C13H25N/c1-9(2)5-6-14-7-11-12(8-14)13(11)10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyWOKZROQMWRZZPL-UHFFFAOYSA-N
MW195.35 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane

3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 168740489) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID168740489
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CCN1CC2C(C1)C2C(C)C
InChIInChI=1S/C13H25N/c1-9(2)5-6-14-7-11-12(8-14)13(11)10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyWOKZROQMWRZZPL-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
1-(3-methylbutyl)-3-methylsulfanylazetidine
CID 59761969
3-tert-butyl-1-(3-methylbutyl)azetidine
CID 164785382
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
imino-methyl-[1-(3-methylbutyl)azetidin-3-yl]-oxo-λ6-sulfane
CID 166562090
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 166113215
2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
CID 156729433
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
1-iodo-4-(3-methylbutyl)piperazine
CID 166948884
3-methyl-1,5-bis(3-methylbutyl)piperazine
CID 156530920

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 168740489) is 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)CCN1CC2C(C1)C2C(C)C.
What is the InChIKey of 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is WOKZROQMWRZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)5-6-14-7-11-12(8-14)13(11)10(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 195.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 168740489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).