[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

C13H25N3 — CID 61226965

IUPAC[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1CCN(C2(CN)CN3CCC2CC3)C1
InChIInChI=1S/C13H25N3/c1-11-2-7-16(8-11)13(9-14)10-15-5-3-12(13)4-6-15/h11-12H,2-10,14H2,1H3
InChIKeyUFHJBLDQPKEZDQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.75
Rot. Bonds2

About [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 61226965) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID61226965
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC1CCN(C2(CN)CN3CCC2CC3)C1
InChIInChI=1S/C13H25N3/c1-11-2-7-16(8-11)13(9-14)10-15-5-3-12(13)4-6-15/h11-12H,2-10,14H2,1H3
InChIKeyUFHJBLDQPKEZDQ-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 61226965) is [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CC1CCN(C2(CN)CN3CCC2CC3)C1.
What is the InChIKey of [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is UFHJBLDQPKEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11-2-7-16(8-11)13(9-14)10-15-5-3-12(13)4-6-15/h11-12H,2-10,14H2,1H3.
What are the key properties of [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 223.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 61226965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).