N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine

C10H20N2 — CID 20628086

IUPACN-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)NC1CN2CCC1CC2
InChIInChI=1S/C10H20N2/c1-8(2)11-10-7-12-5-3-9(10)4-6-12/h8-11H,3-7H2,1-2H3
InChIKeyTUBQNMCPYSGEKC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds2

About N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine

N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 20628086) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID20628086
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)NC1CN2CCC1CC2
InChIInChI=1S/C10H20N2/c1-8(2)11-10-7-12-5-3-9(10)4-6-12/h8-11H,3-7H2,1-2H3
InChIKeyTUBQNMCPYSGEKC-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine (CID 20628086) is N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine is CC(C)NC1CN2CCC1CC2.
What is the InChIKey of N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is TUBQNMCPYSGEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)11-10-7-12-5-3-9(10)4-6-12/h8-11H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine?
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 20628086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).