N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine

C9H18N2 — CID 54431570

IUPACN,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(C)C1CN2CCC1CC2
InChIInChI=1S/C9H18N2/c1-10(2)9-7-11-5-3-8(9)4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyWHVNMYHCCXYCSY-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.64
Rot. Bonds1

About N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine

N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 54431570) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID54431570
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(C)C1CN2CCC1CC2
InChIInChI=1S/C9H18N2/c1-10(2)9-7-11-5-3-8(9)4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyWHVNMYHCCXYCSY-UHFFFAOYSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine (CID 54431570) is N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine is CN(C)C1CN2CCC1CC2.
What is the InChIKey of N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WHVNMYHCCXYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-10(2)9-7-11-5-3-8(9)4-6-11/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine?
N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 54431570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).