ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine

C11H26N2 — CID 177136991

IUPACethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESC.CC.CN1CC2CCC(C1)C2N
InChIInChI=1S/C8H16N2.C2H6.CH4/c1-10-4-6-2-3-7(5-10)8(6)9;1-2;/h6-8H,2-5,9H2,1H3;1-2H3;1H4
InChIKeyFWAWEMTXAFJRQX-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.95
Rot. Bonds

About ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine

ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 177136991) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Nameethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID177136991
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESC.CC.CN1CC2CCC(C1)C2N
InChIInChI=1S/C8H16N2.C2H6.CH4/c1-10-4-6-2-3-7(5-10)8(6)9;1-2;/h6-8H,2-5,9H2,1H3;1-2H3;1H4
InChIKeyFWAWEMTXAFJRQX-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-methyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 98086940
9-amino-3-methyl-3-azabicyclo[3.3.1]nonan-7-ol
CID 115013780
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-amine
CID 98053858
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine
CID 163853730
8-ethylsulfanyl-3-methyl-3-azabicyclo[3.2.1]octane
CID 177032468
3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 121205235
3,6-dimethyl-3,6-diazabicyclo[3.2.0]heptane;ethane
CID 144525202
tricyclo[4.2.1.12,4]decan-5-amine
CID 123976925
N,2-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 134400309

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine (CID 177136991) is ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine is C.CC.CN1CC2CCC(C1)C2N.
What is the InChIKey of ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is FWAWEMTXAFJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H6.CH4/c1-10-4-6-2-3-7(5-10)8(6)9;1-2;/h6-8H,2-5,9H2,1H3;1-2H3;1H4.
What are the key properties of ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine?
ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 186.34 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 177136991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).