N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine

C29H60N6 — CID 146773129

IUPACN-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine
SMILESC[C@H]1CCCN(C(C)(C)CCC(C)(N2CCN(NC(C)(C)C)CC2)C(C)(C)N2CCN(C)CC2)C1
InChIInChI=1S/C29H60N6/c1-25-12-11-15-34(24-25)27(5,6)13-14-29(9,28(7,8)32-18-16-31(10)17-19-32)33-20-22-35(23-21-33)30-26(2,3)4/h25,30H,11-24H2,1-10H3/t25-,29?/m0/s1
InChIKeyRSCNSJVEZNSTNP-GMMLNUAGSA-N
MW492.84 g/mol
LogP3.98
Rot. Bonds8

About N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine

N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine (PubChem CID 146773129) has the molecular formula C29H60N6 and a molecular weight of 492.84 g/mol. Its IUPAC name is N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine
PubChem CID146773129
Molecular FormulaC29H60N6
Molecular Weight492.84 g/mol
Exact Mass492.49
IUPAC NameN-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine
SMILESC[C@H]1CCCN(C(C)(C)CCC(C)(N2CCN(NC(C)(C)C)CC2)C(C)(C)N2CCN(C)CC2)C1
InChIInChI=1S/C29H60N6/c1-25-12-11-15-34(24-25)27(5,6)13-14-29(9,28(7,8)32-18-16-31(10)17-19-32)33-20-22-35(23-21-33)30-26(2,3)4/h25,30H,11-24H2,1-10H3/t25-,29?/m0/s1
InChIKeyRSCNSJVEZNSTNP-GMMLNUAGSA-N
XLogP3.98
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-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-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine?
The IUPAC name of N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine (CID 146773129) is N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine.
What is the SMILES notation for N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine?
The canonical SMILES for N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine is C[C@H]1CCCN(C(C)(C)CCC(C)(N2CCN(NC(C)(C)C)CC2)C(C)(C)N2CCN(C)CC2)C1.
What is the InChIKey of N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine?
The InChIKey is RSCNSJVEZNSTNP-GMMLNUAGSA-N. The full InChI is InChI=1S/C29H60N6/c1-25-12-11-15-34(24-25)27(5,6)13-14-29(9,28(7,8)32-18-16-31(10)17-19-32)33-20-22-35(23-21-33)30-26(2,3)4/h25,30H,11-24H2,1-10H3/t25-,29?/m0/s1.
What are the key properties of N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine?
N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine has a molecular weight of 492.84 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2,3,6-trimethyl-2-(4-methylpiperazin-1-yl)-6-[(3S)-3-methylpiperidin-1-yl]heptan-3-yl]piperazin-1-amine is sourced from PubChem (CID 146773129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).