(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine

C10H20N2 — CID 117050508

IUPAC(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine
SMILESCCN1CC2CCC1CC2CN
InChIInChI=1S/C10H20N2/c1-2-12-7-8-3-4-10(12)5-9(8)6-11/h8-10H,2-7,11H2,1H3
InChIKeyPQDFNTZBCUXUCB-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds2

About (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine

(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine (PubChem CID 117050508) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine
PubChem CID117050508
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine
SMILESCCN1CC2CCC1CC2CN
InChIInChI=1S/C10H20N2/c1-2-12-7-8-3-4-10(12)5-9(8)6-11/h8-10H,2-7,11H2,1H3
InChIKeyPQDFNTZBCUXUCB-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine?
The IUPAC name of (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine (CID 117050508) is (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine.
What is the SMILES notation for (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine?
The canonical SMILES for (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine is CCN1CC2CCC1CC2CN.
What is the InChIKey of (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine?
The InChIKey is PQDFNTZBCUXUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-12-7-8-3-4-10(12)5-9(8)6-11/h8-10H,2-7,11H2,1H3.
What are the key properties of (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine?
(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine is sourced from PubChem (CID 117050508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).