4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide

C13H27N3O — CID 82736832

IUPAC4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
SMILESCCC1CCCN(CCCC(=O)NC)C1CN
InChIInChI=1S/C13H27N3O/c1-3-11-6-4-8-16(12(11)10-14)9-5-7-13(17)15-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLRPFTIKUCIJXIR-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide

4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide (PubChem CID 82736832) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
PubChem CID82736832
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
SMILESCCC1CCCN(CCCC(=O)NC)C1CN
InChIInChI=1S/C13H27N3O/c1-3-11-6-4-8-16(12(11)10-14)9-5-7-13(17)15-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLRPFTIKUCIJXIR-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide (CID 82736832) is 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide is CCC1CCCN(CCCC(=O)NC)C1CN.
What is the InChIKey of 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide?
The InChIKey is LRPFTIKUCIJXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-11-6-4-8-16(12(11)10-14)9-5-7-13(17)15-2/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide?
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 82736832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).