3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine

C12H25N3 — CID 65383711

IUPAC3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)CNC1(CN)CN2CCC1CC2
InChIInChI=1S/C12H25N3/c1-10(2)7-14-12(8-13)9-15-5-3-11(12)4-6-15/h10-11,14H,3-9,13H2,1-2H3
InChIKeyUPNXMZNZQCLGQM-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.66
Rot. Bonds4

About 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine

3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 65383711) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID65383711
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)CNC1(CN)CN2CCC1CC2
InChIInChI=1S/C12H25N3/c1-10(2)7-14-12(8-13)9-15-5-3-11(12)4-6-15/h10-11,14H,3-9,13H2,1-2H3
InChIKeyUPNXMZNZQCLGQM-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 65383711) is 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine is CC(C)CNC1(CN)CN2CCC1CC2.
What is the InChIKey of 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is UPNXMZNZQCLGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)7-14-12(8-13)9-15-5-3-11(12)4-6-15/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 65383711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).