1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine

C14H31N3 — CID 79397146

IUPAC1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(CCCN(C)C)C(C)C1C
InChIInChI=1S/C14H31N3/c1-6-15-14-8-11-17(13(3)12(14)2)10-7-9-16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyADXQSXPBCPNLIX-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine

1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79397146) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79397146
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(CCCN(C)C)C(C)C1C
InChIInChI=1S/C14H31N3/c1-6-15-14-8-11-17(13(3)12(14)2)10-7-9-16(4)5/h12-15H,6-11H2,1-5H3
InChIKeyADXQSXPBCPNLIX-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-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 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79397146) is 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(CCCN(C)C)C(C)C1C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is ADXQSXPBCPNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-15-14-8-11-17(13(3)12(14)2)10-7-9-16(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).