N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine

C14H31N3 — CID 62463178

IUPACN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(2)12-15-6-7-16-8-10-17(11-9-16)14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyXTLSNEIDXPEUIN-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine

N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 62463178) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
PubChem CID62463178
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(2)12-15-6-7-16-8-10-17(11-9-16)14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyXTLSNEIDXPEUIN-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-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 N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine (CID 62463178) is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is XTLSNEIDXPEUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)12-15-6-7-16-8-10-17(11-9-16)14(3,4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62463178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).