5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine

C29H61N5O — CID 135174917

IUPAC5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine
SMILESCC(C)(CCC(C)(C)N1CCN(C(C)(C)C)CC1)NCCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C29H61N5O/c1-26(2,3)32-17-15-31(16-18-32)23-25-35-24-11-14-30-28(7,8)12-13-29(9,10)34-21-19-33(20-22-34)27(4,5)6/h30H,11-25H2,1-10H3
InChIKeyLGNMXWFBIWEFAJ-UHFFFAOYSA-N
MW495.84 g/mol
LogP4.15
Rot. Bonds12

About 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine

5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine (PubChem CID 135174917) has the molecular formula C29H61N5O and a molecular weight of 495.84 g/mol. Its IUPAC name is 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine
PubChem CID135174917
Molecular FormulaC29H61N5O
Molecular Weight495.84 g/mol
Exact Mass495.49
IUPAC Name5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine
SMILESCC(C)(CCC(C)(C)N1CCN(C(C)(C)C)CC1)NCCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C29H61N5O/c1-26(2,3)32-17-15-31(16-18-32)23-25-35-24-11-14-30-28(7,8)12-13-29(9,10)34-21-19-33(20-22-34)27(4,5)6/h30H,11-25H2,1-10H3
InChIKeyLGNMXWFBIWEFAJ-UHFFFAOYSA-N
XLogP4.15
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-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 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine?
The IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine (CID 135174917) is 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine.
What is the SMILES notation for 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine?
The canonical SMILES for 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine is CC(C)(CCC(C)(C)N1CCN(C(C)(C)C)CC1)NCCCOCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine?
The InChIKey is LGNMXWFBIWEFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N5O/c1-26(2,3)32-17-15-31(16-18-32)23-25-35-24-11-14-30-28(7,8)12-13-29(9,10)34-21-19-33(20-22-34)27(4,5)6/h30H,11-25H2,1-10H3.
What are the key properties of 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine?
5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine has a molecular weight of 495.84 g/mol, XLogP of 4.15, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperazin-1-yl)-N-[3-[2-(4-tert-butylpiperazin-1-yl)ethoxy]propyl]-2,5-dimethylhexan-2-amine is sourced from PubChem (CID 135174917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).