4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine

C14H31N3 — CID 63609294

IUPAC4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCN1CCN(C(CN)CC(C)(C)C)CC1(C)C
InChIInChI=1S/C14H31N3/c1-13(2,3)9-12(10-15)17-8-7-16(6)14(4,5)11-17/h12H,7-11,15H2,1-6H3
InChIKeyRJAMAELPIMTCIE-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds3

About 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine

4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine (PubChem CID 63609294) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
PubChem CID63609294
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine
SMILESCN1CCN(C(CN)CC(C)(C)C)CC1(C)C
InChIInChI=1S/C14H31N3/c1-13(2,3)9-12(10-15)17-8-7-16(6)14(4,5)11-17/h12H,7-11,15H2,1-6H3
InChIKeyRJAMAELPIMTCIE-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-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 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine (CID 63609294) is 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine is CN1CCN(C(CN)CC(C)(C)C)CC1(C)C.
What is the InChIKey of 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
The InChIKey is RJAMAELPIMTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2,3)9-12(10-15)17-8-7-16(6)14(4,5)11-17/h12H,7-11,15H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine?
4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3,3,4-trimethylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 63609294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).