N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

C17H30N4 — CID 114539975

IUPACN-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H30N4/c1-7-18-9-16-12(2)8-13(3)19-17(16)21-10-14(4)20(6)15(5)11-21/h8,14-15,18H,7,9-11H2,1-6H3
InChIKeyFODIMEBMMHTDRD-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.34
Rot. Bonds4

About N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 114539975) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID114539975
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C17H30N4/c1-7-18-9-16-12(2)8-13(3)19-17(16)21-10-14(4)20(6)15(5)11-21/h8,14-15,18H,7,9-11H2,1-6H3
InChIKeyFODIMEBMMHTDRD-UHFFFAOYSA-N
XLogP2.34
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine 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 N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 114539975) is N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is FODIMEBMMHTDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-18-9-16-12(2)8-13(3)19-17(16)21-10-14(4)20(6)15(5)11-21/h8,14-15,18H,7,9-11H2,1-6H3.
What are the key properties of N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 290.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114539975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).