ethane;2-ethyl-2-azabicyclo[2.2.1]heptane

C12H27N — CID 172608634

IUPACethane;2-ethyl-2-azabicyclo[2.2.1]heptane
SMILESCC.CC.CCN1CC2CCC1C2
InChIInChI=1S/C8H15N.2C2H6/c1-2-9-6-7-3-4-8(9)5-7;2*1-2/h7-8H,2-6H2,1H3;2*1-2H3
InChIKeyUPJJACCSHCDWHW-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds1

About ethane;2-ethyl-2-azabicyclo[2.2.1]heptane

ethane;2-ethyl-2-azabicyclo[2.2.1]heptane (PubChem CID 172608634) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;2-ethyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;2-ethyl-2-azabicyclo[2.2.1]heptane
PubChem CID172608634
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;2-ethyl-2-azabicyclo[2.2.1]heptane
SMILESCC.CC.CCN1CC2CCC1C2
InChIInChI=1S/C8H15N.2C2H6/c1-2-9-6-7-3-4-8(9)5-7;2*1-2/h7-8H,2-6H2,1H3;2*1-2H3
InChIKeyUPJJACCSHCDWHW-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 145162242
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
6-ethyl-3-methyl-3,6-diazabicyclo[3.2.1]octane
CID 121451791
2-ethyl-4,4-dimethyl-2-azabicyclo[4.2.1]nonane
CID 166815485
ethyl 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetate
CID 124526616
1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-bromopropan-2-ol
CID 112561422
2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 130686554
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
CID 62265643
2-[(E)-3-chloroprop-2-enyl]-2-azabicyclo[2.2.1]heptane
CID 131241224
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylcyclopentan-1-amine
CID 62610688

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of ethane;2-ethyl-2-azabicyclo[2.2.1]heptane (CID 172608634) is ethane;2-ethyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;2-ethyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;2-ethyl-2-azabicyclo[2.2.1]heptane is CC.CC.CCN1CC2CCC1C2.
What is the InChIKey of ethane;2-ethyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is UPJJACCSHCDWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-2-9-6-7-3-4-8(9)5-7;2*1-2/h7-8H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-2-azabicyclo[2.2.1]heptane?
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 185.35 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 172608634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).