2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one

C16H32N2O — CID 62124809

IUPAC2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C16H32N2O/c1-5-9-16(12-17,10-6-2)15(19)18-11-7-8-13(3)14(18)4/h13-14H,5-12,17H2,1-4H3
InChIKeyYDCHBHRRRFIRAT-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds6

About 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one

2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one (PubChem CID 62124809) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
PubChem CID62124809
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C16H32N2O/c1-5-9-16(12-17,10-6-2)15(19)18-11-7-8-13(3)14(18)4/h13-14H,5-12,17H2,1-4H3
InChIKeyYDCHBHRRRFIRAT-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one 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-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one (CID 62124809) is 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one is CCCC(CN)(CCC)C(=O)N1CCCC(C)C1C.
What is the InChIKey of 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one?
The InChIKey is YDCHBHRRRFIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-9-16(12-17,10-6-2)15(19)18-11-7-8-13(3)14(18)4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one?
2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one is sourced from PubChem (CID 62124809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).