hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)

C26H34N4O4 — CID 15140319

IUPAChexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)
SMILESCC(N)c1ccc2[nH]ccc2c1.CC(N)c1ccc2[nH]ccc2c1.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C10H12N2.C6H10O4/c2*1-7(11)8-2-3-10-9(6-8)4-5-12-10;7-5(8)3-1-2-4-6(9)10/h2*2-7,12H,11H2,1H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyXFDBIIBTWDDKML-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.09
Rot. Bonds7

About hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)

hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine) (PubChem CID 15140319) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine).

Molecular Properties

Compound Namehexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)
PubChem CID15140319
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Namehexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)
SMILESCC(N)c1ccc2[nH]ccc2c1.CC(N)c1ccc2[nH]ccc2c1.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C10H12N2.C6H10O4/c2*1-7(11)8-2-3-10-9(6-8)4-5-12-10;7-5(8)3-1-2-4-6(9)10/h2*2-7,12H,11H2,1H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyXFDBIIBTWDDKML-UHFFFAOYSA-N
XLogP5.09
TPSA158.22 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500466.58
LogP ≤ 55.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-5-yl)propanamide
CID 140559721
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259
5-propan-2-yl-1H-indole
CID 10558918
4-(1H-indol-5-ylamino)butanoic acid
CID 82539531
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
5-(1-chloroethyl)-1H-indole
CID 174700849
ethyl (3R)-3-amino-2,2-difluoro-3-(1H-indol-5-yl)propanoate
CID 171241453
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
(Z)-2,4-dihydroxy-4-(1H-indol-5-yl)but-2-enoic acid
CID 141265593
(E)-2,4-dihydroxy-4-(1H-indol-5-yl)but-2-enoic acid
CID 141342745
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545

Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)?
The IUPAC name of hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine) (CID 15140319) is hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine).
What is the SMILES notation for hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)?
The canonical SMILES for hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine) is CC(N)c1ccc2[nH]ccc2c1.CC(N)c1ccc2[nH]ccc2c1.O=C(O)CCCCC(=O)O.
What is the InChIKey of hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)?
The InChIKey is XFDBIIBTWDDKML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2.C6H10O4/c2*1-7(11)8-2-3-10-9(6-8)4-5-12-10;7-5(8)3-1-2-4-6(9)10/h2*2-7,12H,11H2,1H3;1-4H2,(H,7,8)(H,9,10).
What are the key properties of hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine)?
hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine) has a molecular weight of 466.58 g/mol, XLogP of 5.09, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;bis(1-(1H-indol-5-yl)ethanamine) is sourced from PubChem (CID 15140319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).