2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine

C15H32N2 — CID 63159648

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC1(C)CCN(CC(C)(CC)CNC)CC1
InChIInChI=1S/C15H32N2/c1-6-14(3)8-10-17(11-9-14)13-15(4,7-2)12-16-5/h16H,6-13H2,1-5H3
InChIKeyACTRRQMQLKVDRY-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 63159648) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID63159648
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC1(C)CCN(CC(C)(CC)CNC)CC1
InChIInChI=1S/C15H32N2/c1-6-14(3)8-10-17(11-9-14)13-15(4,7-2)12-16-5/h16H,6-13H2,1-5H3
InChIKeyACTRRQMQLKVDRY-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine 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-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine (CID 63159648) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine is CCC1(C)CCN(CC(C)(CC)CNC)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is ACTRRQMQLKVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-14(3)8-10-17(11-9-14)13-15(4,7-2)12-16-5/h16H,6-13H2,1-5H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 63159648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).