2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide

C15H31N3O — CID 82737150

IUPAC2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCCC(CC)C1CN
InChIInChI=1S/C15H31N3O/c1-4-7-12(3)17-15(19)11-18-9-6-8-13(5-2)14(18)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyUHTXMZPYPUSODB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide (PubChem CID 82737150) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
PubChem CID82737150
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCCC(CC)C1CN
InChIInChI=1S/C15H31N3O/c1-4-7-12(3)17-15(19)11-18-9-6-8-13(5-2)14(18)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyUHTXMZPYPUSODB-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
CID 82731953
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
CID 82736942
1-[2-oxo-2-(pentan-2-ylamino)ethyl]azepane-2-carboxylic acid
CID 64564717
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 103352964
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
CID 112622625
N-heptan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62738251
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide (CID 82737150) is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1CCCC(CC)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is UHTXMZPYPUSODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-7-12(3)17-15(19)11-18-9-6-8-13(5-2)14(18)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide?
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 82737150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).