butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine

C15H25NO8 — CID 172742405

IUPACbutane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine
SMILESCC1CCCCC1N.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O8.C7H15N/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12;1-6-4-2-3-5-7(6)8/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);6-7H,2-5,8H2,1H3
InChIKeyJGUZKMPUWMYDBU-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.86
Rot. Bonds7

About butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine

butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine (PubChem CID 172742405) has the molecular formula C15H25NO8 and a molecular weight of 347.36 g/mol. Its IUPAC name is butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine.

Molecular Properties

Compound Namebutane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine
PubChem CID172742405
Molecular FormulaC15H25NO8
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Namebutane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine
SMILESCC1CCCCC1N.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O8.C7H15N/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12;1-6-4-2-3-5-7(6)8/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);6-7H,2-5,8H2,1H3
InChIKeyJGUZKMPUWMYDBU-UHFFFAOYSA-N
XLogP0.86
TPSA175.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-methylcyclohexan-1-amine
CID 638182
ethene;2-methylcyclohexan-1-amine
CID 142086710
(1S)-2-methylcyclopentan-1-amine
CID 154545726
propane-1,2,3-tricarboxylic acid;tris(2-propylcyclohexan-1-amine)
CID 69040247
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
trans-(1S,2S)-2-methylcyclopentan-1-amine;hydrochloride
CID 13184369
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
acetic acid;cyclohexane-1,2-diamine
CID 67321744
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
2-hydroxyacetic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 88686306
2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
CID 130898751

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine?
The IUPAC name of butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine (CID 172742405) is butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine.
What is the SMILES notation for butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine?
The canonical SMILES for butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine is CC1CCCCC1N.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;2-methylcyclohexan-1-amine?
The InChIKey is JGUZKMPUWMYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O8.C7H15N/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12;1-6-4-2-3-5-7(6)8/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);6-7H,2-5,8H2,1H3.
What are the key properties of butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine?
butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine has a molecular weight of 347.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetracarboxylic acid;2-methylcyclohexan-1-amine is sourced from PubChem (CID 172742405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).