ethane;3-methyl-6-azabicyclo[3.2.1]octane

C12H27N — CID 156888157

IUPACethane;3-methyl-6-azabicyclo[3.2.1]octane
SMILESCC.CC.CC1CC2CNC(C1)C2
InChIInChI=1S/C8H15N.2C2H6/c1-6-2-7-4-8(3-6)9-5-7;2*1-2/h6-9H,2-5H2,1H3;2*1-2H3
InChIKeyAUXYYSCUSSUDIP-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds

About ethane;3-methyl-6-azabicyclo[3.2.1]octane

ethane;3-methyl-6-azabicyclo[3.2.1]octane (PubChem CID 156888157) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;3-methyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;3-methyl-6-azabicyclo[3.2.1]octane
PubChem CID156888157
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;3-methyl-6-azabicyclo[3.2.1]octane
SMILESCC.CC.CC1CC2CNC(C1)C2
InChIInChI=1S/C8H15N.2C2H6/c1-6-2-7-4-8(3-6)9-5-7;2*1-2/h6-9H,2-5H2,1H3;2*1-2H3
InChIKeyAUXYYSCUSSUDIP-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 171036183
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
2-azabicyclo[2.2.2]octane;ethane
CID 176988087
6-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 141208605
3,6-diazabicyclo[3.2.1]octan-3-amine;ethane
CID 166166562
N-(6-azabicyclo[3.2.1]octan-3-yl)ethanesulfonamide
CID 165463570
2-azabicyclo[2.2.1]heptane;azane;hydrate
CID 175690647
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
3-thia-6-azabicyclo[3.2.1]octane
CID 84762281
N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
CID 165469238
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
CID 165463588

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of ethane;3-methyl-6-azabicyclo[3.2.1]octane (CID 156888157) is ethane;3-methyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;3-methyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for ethane;3-methyl-6-azabicyclo[3.2.1]octane is CC.CC.CC1CC2CNC(C1)C2.
What is the InChIKey of ethane;3-methyl-6-azabicyclo[3.2.1]octane?
The InChIKey is AUXYYSCUSSUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-6-2-7-4-8(3-6)9-5-7;2*1-2/h6-9H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-6-azabicyclo[3.2.1]octane?
ethane;3-methyl-6-azabicyclo[3.2.1]octane has a molecular weight of 185.35 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 156888157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).