[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine

C14H29N3O — CID 81468396

IUPAC[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCCOC1CCCN(C2(CN)CC(C)N(C)C2)C1
InChIInChI=1S/C14H29N3O/c1-4-18-13-6-5-7-17(9-13)14(10-15)8-12(2)16(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyWXCXXMVQMGRZQY-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds4

About [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine

[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 81468396) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID81468396
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCCOC1CCCN(C2(CN)CC(C)N(C)C2)C1
InChIInChI=1S/C14H29N3O/c1-4-18-13-6-5-7-17(9-13)14(10-15)8-12(2)16(3)11-14/h12-13H,4-11,15H2,1-3H3
InChIKeyWXCXXMVQMGRZQY-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999067
[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62707704
[3-(4,4-dimethylpiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468812
[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 104958168
[3-(8-azaspiro[4.5]decan-8-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468505
[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 81469831
[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81467595
[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080128
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
CID 106822190

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine (CID 81468396) is [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine is CCOC1CCCN(C2(CN)CC(C)N(C)C2)C1.
What is the InChIKey of [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is WXCXXMVQMGRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-18-13-6-5-7-17(9-13)14(10-15)8-12(2)16(3)11-14/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine?
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81468396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).