[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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Related Compounds

[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43121734
[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 103494661
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43584395
[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 62331378
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 81199454
[2,4-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64761550
[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 63465982
[1-methyl-3-(3-methylpyrrolidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62976743
(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 66724726
[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365284
[3,3-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705878
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112

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).