5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine

C53H110N8 — CID 91463334

IUPAC5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine
SMILESCCN(CC)CCCC(CCCN(C)C)(N(CC)CC)C(CCCN1CCCCC1)(CCN(C)C)C(CCN(CC)CC)(CC1CCCN(C)C1)C(C)CCC1CCCN1C
InChIInChI=1S/C53H110N8/c1-14-58(15-2)42-27-34-53(61(18-5)19-6,33-26-37-54(8)9)52(36-44-55(10)11,32-25-43-60-40-21-20-22-41-60)51(35-45-59(16-3)17-4,46-49-28-23-38-56(12)47-49)48(7)30-31-50-29-24-39-57(50)13/h48-50H,14-47H2,1-13H3
InChIKeyGXMSTADRNWHEQS-UHFFFAOYSA-N
MW859.52 g/mol
LogP9.70
Rot. Bonds33

About 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine

5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine (PubChem CID 91463334) has the molecular formula C53H110N8 and a molecular weight of 859.52 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine
PubChem CID91463334
Molecular FormulaC53H110N8
Molecular Weight859.52 g/mol
Exact Mass858.89
IUPAC Name5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine
SMILESCCN(CC)CCCC(CCCN(C)C)(N(CC)CC)C(CCCN1CCCCC1)(CCN(C)C)C(CCN(CC)CC)(CC1CCCN(C)C1)C(C)CCC1CCCN1C
InChIInChI=1S/C53H110N8/c1-14-58(15-2)42-27-34-53(61(18-5)19-6,33-26-37-54(8)9)52(36-44-55(10)11,32-25-43-60-40-21-20-22-41-60)51(35-45-59(16-3)17-4,46-49-28-23-38-56(12)47-49)48(7)30-31-50-29-24-39-57(50)13/h48-50H,14-47H2,1-13H3
InChIKeyGXMSTADRNWHEQS-UHFFFAOYSA-N
XLogP9.70
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds33
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.52
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2,3,3-Pentamethyl-4-[1-(1,2,2,3,3-pentamethylpiperidin-4-yl)decyl]piperidine
CID 20406324
1,2,2,6,6-Pentamethyl-4-[1-[1-(1,2,2,6,6-pentamethylpiperidin-4-yl)propyl]-1-tridecyltetradecyl]piperidine
CID 22921377
1-[3,5-Dimethyl-5-(1-methylpiperidin-4-yl)heptan-3-yl]-2,2-dimethylpiperidine
CID 90702996
10-(2,8-Dimethyl-2,8-diazaspiro[4.5]decan-4-yl)-9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 91538992
1-Hexyl-4-[5-(1-hexyl-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl)pentan-2-yl]-2,2,6-trimethyl-6-propan-2-ylpiperidine
CID 121244604
1-(3,3-Dimethylbutyl)-4-[4-(2,6-dimethylpiperidin-1-yl)-2,2-dimethylbutyl]-3,5-dimethylpiperidine
CID 124198929
3-Tert-butyl-8-ethyl-1-[2-methyl-2-(1-propan-2-ylpiperidin-4-yl)propyl]-8-azabicyclo[3.2.1]octane
CID 126539801
3-[5-(3-Tert-butylpyrrolidin-1-yl)-2-methylhexan-2-yl]-1-ethylpiperidine
CID 126539958
4-[2,3-Dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine
CID 126570343
Triethyl-[4-methyl-4-[1-methyl-4-[3-[1-methyl-1-[5-methyl-5-(triethylazaniumyl)hexyl]piperidin-1-ium-4-yl]propyl]piperidin-1-ium-1-yl]pentyl]azanium
CID 126651942
1-tert-butyl-3-[5-[(3R)-3-tert-butylpyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]piperidine
CID 126724264
4-Tert-butyl-1-[5-(1-tert-butylpyrrolidin-2-yl)-2,5-dimethylhexan-2-yl]piperidine
CID 126725516

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine (CID 91463334) is 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine is CCN(CC)CCCC(CCCN(C)C)(N(CC)CC)C(CCCN1CCCCC1)(CCN(C)C)C(CCN(CC)CC)(CC1CCCN(C)C1)C(C)CCC1CCCN1C.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine?
The InChIKey is GXMSTADRNWHEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H110N8/c1-14-58(15-2)42-27-34-53(61(18-5)19-6,33-26-37-54(8)9)52(36-44-55(10)11,32-25-43-60-40-21-20-22-41-60)51(35-45-59(16-3)17-4,46-49-28-23-38-56(12)47-49)48(7)30-31-50-29-24-39-57(50)13/h48-50H,14-47H2,1-13H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine?
5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine has a molecular weight of 859.52 g/mol, XLogP of 9.70, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-4-[3-(dimethylamino)propyl]-1-N,1-N,4-N,4-N,8-N,8-N-hexaethyl-6-[(1-methylpiperidin-3-yl)methyl]-6-[4-(1-methylpyrrolidin-2-yl)butan-2-yl]-5-(3-piperidin-1-ylpropyl)octane-1,4,8-triamine is sourced from PubChem (CID 91463334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).