2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide

C17H35N3O — CID 114960951

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCC(C)C(CN)C1
InChIInChI=1S/C17H35N3O/c1-13(2)9-20(10-14(3)4)17(21)12-19-7-6-15(5)16(8-18)11-19/h13-16H,6-12,18H2,1-5H3
InChIKeySYHCLXLXFAPRSX-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.04
Rot. Bonds7

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 114960951) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID114960951
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CN1CCC(C)C(CN)C1
InChIInChI=1S/C17H35N3O/c1-13(2)9-20(10-14(3)4)17(21)12-19-7-6-15(5)16(8-18)11-19/h13-16H,6-12,18H2,1-5H3
InChIKeySYHCLXLXFAPRSX-UHFFFAOYSA-N
XLogP2.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide (CID 114960951) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CN1CCC(C)C(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is SYHCLXLXFAPRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)9-20(10-14(3)4)17(21)12-19-7-6-15(5)16(8-18)11-19/h13-16H,6-12,18H2,1-5H3.
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 114960951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).