N-methylbicyclo[2.2.2]octan-1-amine

C9H17N — CID 57117319

IUPACN-methylbicyclo[2.2.2]octan-1-amine
SMILESCNC12CCC(CC1)CC2
InChIInChI=1S/C9H17N/c1-10-9-5-2-8(3-6-9)4-7-9/h8,10H,2-7H2,1H3
InChIKeyDRTZRHBFJIMXCF-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds1

About N-methylbicyclo[2.2.2]octan-1-amine

N-methylbicyclo[2.2.2]octan-1-amine (PubChem CID 57117319) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methylbicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound NameN-methylbicyclo[2.2.2]octan-1-amine
PubChem CID57117319
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methylbicyclo[2.2.2]octan-1-amine
SMILESCNC12CCC(CC1)CC2
InChIInChI=1S/C9H17N/c1-10-9-5-2-8(3-6-9)4-7-9/h8,10H,2-7H2,1H3
InChIKeyDRTZRHBFJIMXCF-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylbicyclo[2.2.2]octan-1-amine?
The IUPAC name of N-methylbicyclo[2.2.2]octan-1-amine (CID 57117319) is N-methylbicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for N-methylbicyclo[2.2.2]octan-1-amine?
The canonical SMILES for N-methylbicyclo[2.2.2]octan-1-amine is CNC12CCC(CC1)CC2.
What is the InChIKey of N-methylbicyclo[2.2.2]octan-1-amine?
The InChIKey is DRTZRHBFJIMXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-9-5-2-8(3-6-9)4-7-9/h8,10H,2-7H2,1H3.
What are the key properties of N-methylbicyclo[2.2.2]octan-1-amine?
N-methylbicyclo[2.2.2]octan-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 57117319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).