2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide

C17H35N3O — CID 103352964

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCCC1CCN(CC(=O)NC(C)CCC(C)C)C(CN)C1
InChIInChI=1S/C17H35N3O/c1-5-15-8-9-20(16(10-15)11-18)12-17(21)19-14(4)7-6-13(2)3/h13-16H,5-12,18H2,1-4H3,(H,19,21)
InChIKeyQQIFMYNUFBETID-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.38
Rot. Bonds8

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide (PubChem CID 103352964) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
PubChem CID103352964
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCCC1CCN(CC(=O)NC(C)CCC(C)C)C(CN)C1
InChIInChI=1S/C17H35N3O/c1-5-15-8-9-20(16(10-15)11-18)12-17(21)19-14(4)7-6-13(2)3/h13-16H,5-12,18H2,1-4H3,(H,19,21)
InChIKeyQQIFMYNUFBETID-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide (CID 103352964) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide is CCC1CCN(CC(=O)NC(C)CCC(C)C)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is QQIFMYNUFBETID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-15-8-9-20(16(10-15)11-18)12-17(21)19-14(4)7-6-13(2)3/h13-16H,5-12,18H2,1-4H3,(H,19,21).
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 103352964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).