2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine

C17H38N4 — CID 62886088

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C17H38N4/c1-6-16(3)14-17(7-2,15-18)21-12-10-20(11-13-21)9-8-19(4)5/h16H,6-15,18H2,1-5H3
InChIKeyHAIIGPMBMILQHB-UHFFFAOYSA-N
MW298.52 g/mol
LogP1.71
Rot. Bonds9

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine (PubChem CID 62886088) has the molecular formula C17H38N4 and a molecular weight of 298.52 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
PubChem CID62886088
Molecular FormulaC17H38N4
Molecular Weight298.52 g/mol
Exact Mass298.31
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C17H38N4/c1-6-16(3)14-17(7-2,15-18)21-12-10-20(11-13-21)9-8-19(4)5/h16H,6-15,18H2,1-5H3
InChIKeyHAIIGPMBMILQHB-UHFFFAOYSA-N
XLogP1.71
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-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-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine (CID 62886088) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine is CCC(C)CC(CC)(CN)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
The InChIKey is HAIIGPMBMILQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4/c1-6-16(3)14-17(7-2,15-18)21-12-10-20(11-13-21)9-8-19(4)5/h16H,6-15,18H2,1-5H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine has a molecular weight of 298.52 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 62886088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).