butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)

C88H174N4O8 — CID 161493224

IUPACbutane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)
SMILESCCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/4C20H41N.C8H10O8/c4*1-2-3-13-19-15-12-16-20(18-19)14-10-8-6-4-5-7-9-11-17-21;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h4*19-20H,2-18,21H2,1H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyWFWFUAAMIWOXES-UHFFFAOYSA-N
MW1416.38 g/mol
LogP25.15
Rot. Bonds59

About butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)

butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine) (PubChem CID 161493224) has the molecular formula C88H174N4O8 and a molecular weight of 1416.38 g/mol. Its IUPAC name is butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine).

Molecular Properties

Compound Namebutane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)
PubChem CID161493224
Molecular FormulaC88H174N4O8
Molecular Weight1416.38 g/mol
Exact Mass1415.33
IUPAC Namebutane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)
SMILESCCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/4C20H41N.C8H10O8/c4*1-2-3-13-19-15-12-16-20(18-19)14-10-8-6-4-5-7-9-11-17-21;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h4*19-20H,2-18,21H2,1H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyWFWFUAAMIWOXES-UHFFFAOYSA-N
XLogP25.15
TPSA253.28 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds59
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.38
LogP ≤ 525.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-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

Related Compounds

tris(10-(4-ethylcyclohexyl)decan-1-amine);propane-1,2,3-tricarboxylic acid
CID 160702739
1,3-diheptylcyclohexane
CID 19973333
1,3-dipentylcyclohexane
CID 54105663
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
6-cyclohexylhexan-1-amine
CID 19875455
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320
1-N,2-N,3-N,4-N-tetrakis(3-butylcyclohexyl)butane-1,2,3,4-tetracarboxamide
CID 67414035
1-methyl-3-octylcyclohexane
CID 54298070
heptylcyclohexane;propan-2-one
CID 143570854
1-methyl-3-octadecylcyclohexane
CID 175465709
carbonyl dichloride;pentylcyclohexane
CID 19977556
8-cyclobutyloctanoic acid
CID 72551210

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)?
The IUPAC name of butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine) (CID 161493224) is butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine).
What is the SMILES notation for butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)?
The canonical SMILES for butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine) is CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.CCCCC1CCCC(CCCCCCCCCCN)C1.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)?
The InChIKey is WFWFUAAMIWOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H41N.C8H10O8/c4*1-2-3-13-19-15-12-16-20(18-19)14-10-8-6-4-5-7-9-11-17-21;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h4*19-20H,2-18,21H2,1H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine)?
butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine) has a molecular weight of 1416.38 g/mol, XLogP of 25.15, 59 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetracarboxylic acid;tetrakis(10-(3-butylcyclohexyl)decan-1-amine) is sourced from PubChem (CID 161493224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).