2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane

C11H21N — CID 174261513

IUPAC2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
SMILESCCC(C)CN1CC2CCC1C2
InChIInChI=1S/C11H21N/c1-3-9(2)7-12-8-10-4-5-11(12)6-10/h9-11H,3-8H2,1-2H3
InChIKeyORVZKTXAOSQAJG-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane

2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 174261513) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
PubChem CID174261513
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
SMILESCCC(C)CN1CC2CCC1C2
InChIInChI=1S/C11H21N/c1-3-9(2)7-12-8-10-4-5-11(12)6-10/h9-11H,3-8H2,1-2H3
InChIKeyORVZKTXAOSQAJG-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane
CID 172608634
3-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-amine
CID 130594961
N-[(2S)-1-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-3-methylbutan-2-yl]-2-methylpropanamide
CID 176871315
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxypropan-2-ol
CID 63930034
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-bromopropan-2-ol
CID 112561422
2-(2-bromo-3,3,3-trifluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 64758745
5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 90758578
(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
CID 130595131
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
CID 62265643
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane (CID 174261513) is 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane is CCC(C)CN1CC2CCC1C2.
What is the InChIKey of 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is ORVZKTXAOSQAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9(2)7-12-8-10-4-5-11(12)6-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane?
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 174261513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).