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

C15H29N3 — CID 43584395

IUPAC[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCCC1CCCN(C2(CN)CN3CCC2CC3)C1
InChIInChI=1S/C15H29N3/c1-2-13-4-3-7-18(10-13)15(11-16)12-17-8-5-14(15)6-9-17/h13-14H,2-12,16H2,1H3
InChIKeyUXAKDVIGYUAAKS-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.53
Rot. Bonds3

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

[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 43584395) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID43584395
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCCC1CCCN(C2(CN)CN3CCC2CC3)C1
InChIInChI=1S/C15H29N3/c1-2-13-4-3-7-18(10-13)15(11-16)12-17-8-5-14(15)6-9-17/h13-14H,2-12,16H2,1H3
InChIKeyUXAKDVIGYUAAKS-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine with MolForge

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Related Compounds

(2S,4S,5R)-2-Aminomethyl-5-ethylquinuclidine
CID 57350103
(2R,4S,5R)-2-Aminomethyl-5-ethylquinuclidine
CID 11401004
3-Methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 55289838
3-aminomethyl-3-(N-piperidyl)quinuclidine
CID 43121748
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43362662
rac-(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 45087841
N-(2,3-dimethylpentyl)-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
CID 430744
(2S,3R)-2-Methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 12132790
3-(Aminomethyl)quinuclidin-3-amine
CID 14221140
2-Methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 17762015
2-(2-Aminopropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19108404
2-(Dimethylaminomethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19108409

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 43584395) is [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CCC1CCCN(C2(CN)CN3CCC2CC3)C1.
What is the InChIKey of [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is UXAKDVIGYUAAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-13-4-3-7-18(10-13)15(11-16)12-17-8-5-14(15)6-9-17/h13-14H,2-12,16H2,1H3.
What are the key properties of [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 43584395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).