ethanamine;hexanedioic acid

C10H24N2O4 — CID 173189130

IUPACethanamine;hexanedioic acid
SMILESCCN.CCN.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.2C2H7N/c7-5(8)3-1-2-4-6(9)10;2*1-2-3/h1-4H2,(H,7,8)(H,9,10);2*2-3H2,1H3
InChIKeyVRRDGQXIJICIIR-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.65
Rot. Bonds5

About ethanamine;hexanedioic acid

ethanamine;hexanedioic acid (PubChem CID 173189130) has the molecular formula C10H24N2O4 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethanamine;hexanedioic acid.

Molecular Properties

Compound Nameethanamine;hexanedioic acid
PubChem CID173189130
Molecular FormulaC10H24N2O4
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Nameethanamine;hexanedioic acid
SMILESCCN.CCN.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.2C2H7N/c7-5(8)3-1-2-4-6(9)10;2*1-2-3/h1-4H2,(H,7,8)(H,9,10);2*2-3H2,1H3
InChIKeyVRRDGQXIJICIIR-UHFFFAOYSA-N
XLogP0.65
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
11-aminoundecanoic acid;ethane
CID 144914161
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
decan-1-amine;dodecanoic acid
CID 173305256
pentan-1-amine;tetradecanoic acid
CID 174809000
hexadecanoic acid;pentan-1-amine
CID 161401164
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
icosan-1-amine;octadecanoic acid
CID 174740583

Frequently Asked Questions

What is the IUPAC name of ethanamine;hexanedioic acid?
The IUPAC name of ethanamine;hexanedioic acid (CID 173189130) is ethanamine;hexanedioic acid.
What is the SMILES notation for ethanamine;hexanedioic acid?
The canonical SMILES for ethanamine;hexanedioic acid is CCN.CCN.O=C(O)CCCCC(=O)O.
What is the InChIKey of ethanamine;hexanedioic acid?
The InChIKey is VRRDGQXIJICIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2C2H7N/c7-5(8)3-1-2-4-6(9)10;2*1-2-3/h1-4H2,(H,7,8)(H,9,10);2*2-3H2,1H3.
What are the key properties of ethanamine;hexanedioic acid?
ethanamine;hexanedioic acid has a molecular weight of 236.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;hexanedioic acid is sourced from PubChem (CID 173189130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).