ethane;5-methyl-2-azabicyclo[2.2.1]heptane

C9H19N — CID 156793137

IUPACethane;5-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC.CC1CC2CC1CN2
InChIInChI=1S/C7H13N.C2H6/c1-5-2-7-3-6(5)4-8-7;1-2/h5-8H,2-4H2,1H3;1-2H3
InChIKeyWSIBTBASPFANPU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds

About ethane;5-methyl-2-azabicyclo[2.2.1]heptane

ethane;5-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 156793137) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;5-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;5-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID156793137
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;5-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC.CC1CC2CC1CN2
InChIInChI=1S/C7H13N.C2H6/c1-5-2-7-3-6(5)4-8-7;1-2/h5-8H,2-4H2,1H3;1-2H3
InChIKeyWSIBTBASPFANPU-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of ethane;5-methyl-2-azabicyclo[2.2.1]heptane (CID 156793137) is ethane;5-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;5-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;5-methyl-2-azabicyclo[2.2.1]heptane is CC.CC1CC2CC1CN2.
What is the InChIKey of ethane;5-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is WSIBTBASPFANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-5-2-7-3-6(5)4-8-7;1-2/h5-8H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2-azabicyclo[2.2.1]heptane?
ethane;5-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 141.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 156793137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).