6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane

C12H23N — CID 130668553

IUPAC6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCCCC(C)N1CC2C(C1)C2(C)C
InChIInChI=1S/C12H23N/c1-5-6-9(2)13-7-10-11(8-13)12(10,3)4/h9-11H,5-8H2,1-4H3
InChIKeyUZJJMRFKDZEDFL-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds3

About 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane

6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 130668553) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID130668553
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCCCC(C)N1CC2C(C1)C2(C)C
InChIInChI=1S/C12H23N/c1-5-6-9(2)13-7-10-11(8-13)12(10,3)4/h9-11H,5-8H2,1-4H3
InChIKeyUZJJMRFKDZEDFL-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Tert-butyl-1-propan-2-ylpiperidine
CID 12722193
1,2-Dimethyl-4-t-butylpiperidine
CID 89116342
6-Fluoro-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 89548891
2-(2,2-Dimethylpropyl)-4-fluoro-4-methyl-2-azabicyclo[3.1.0]hexane
CID 117729940
6-Fluoro-6-methyl-2-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 117804152
(1R,4R,5S)-2-tert-butyl-4-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126639487
(1R,4S,5S)-2-tert-butyl-4-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126641335
(5S)-3-(2-fluoro-2-methylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 138636260
(1R,3R,5S)-2-tert-butyl-5-(1,2-difluoroethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 153298360
(1R,3R,5S)-2-tert-butyl-5-(fluoromethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 153298451
3-Propan-2-yl-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 167340260
(3R,5S)-2-tert-butyl-5-(fluoromethyl)-3-methyl-2-azabicyclo[3.1.0]hexane
CID 169667092

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane (CID 130668553) is 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane is CCCC(C)N1CC2C(C1)C2(C)C.
What is the InChIKey of 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is UZJJMRFKDZEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-9(2)13-7-10-11(8-13)12(10,3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane?
6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-pentan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130668553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).