1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane

C11H21N — CID 58310329

IUPAC1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane
SMILESCC(C)N1CC2CC1(C(C)C)C2
InChIInChI=1S/C11H21N/c1-8(2)11-5-10(6-11)7-12(11)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyKLPCWYKJNALTGW-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds2

About 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane

1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane (PubChem CID 58310329) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane
PubChem CID58310329
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane
SMILESCC(C)N1CC2CC1(C(C)C)C2
InChIInChI=1S/C11H21N/c1-8(2)11-5-10(6-11)7-12(11)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyKLPCWYKJNALTGW-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1,4,5-tri(propan-2-yl)piperidine
CID 170250330
4-ethyl-2,2-dimethyl-1-propan-2-ylpyrrolidine
CID 170052638
2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 176769063
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane
CID 177005803
7,7-dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 121400498
(2R)-2-methyl-1,2-di(propan-2-yl)azetidine
CID 170383995
2-methyl-1,2,3-tri(propan-2-yl)pyrrolidine
CID 130250470
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170689578
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
N-methyl-1-(1-propan-2-ylcyclopropyl)pyrrolidin-3-amine
CID 131048590

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane (CID 58310329) is 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane is CC(C)N1CC2CC1(C(C)C)C2.
What is the InChIKey of 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane?
The InChIKey is KLPCWYKJNALTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)11-5-10(6-11)7-12(11)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane?
1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 58310329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).