[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

C16H31N3 — CID 103494661

IUPAC[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CN3CCC2CC3)CC1
InChIInChI=1S/C16H31N3/c1-13(2)14-3-9-19(10-4-14)16(11-17)12-18-7-5-15(16)6-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyQJPVSXVNAUGONB-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.78
Rot. Bonds3

About [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 103494661) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID103494661
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCC(C)C1CCN(C2(CN)CN3CCC2CC3)CC1
InChIInChI=1S/C16H31N3/c1-13(2)14-3-9-19(10-4-14)16(11-17)12-18-7-5-15(16)6-8-18/h13-15H,3-12,17H2,1-2H3
InChIKeyQJPVSXVNAUGONB-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine with MolForge

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Related Compounds

[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43121734
[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 61226965
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43584395
[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
[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103494845
[3-(2,4-dimethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 62331378
(3R)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
CID 66724726
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365192
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
3-(aminomethyl)-N-(2-methylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 65383711
[4-(3-propylpyrrolidin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365284

Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 103494661) is [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CC(C)C1CCN(C2(CN)CN3CCC2CC3)CC1.
What is the InChIKey of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is QJPVSXVNAUGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)14-3-9-19(10-4-14)16(11-17)12-18-7-5-15(16)6-8-18/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 103494661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).