bis(hexan-2-amine);oxalic acid

C14H32N2O4 — CID 175216358

IUPACbis(hexan-2-amine);oxalic acid
SMILESCCCCC(C)N.CCCCC(C)N.O=C(O)C(=O)O
InChIInChI=1S/2C6H15N.C2H2O4/c2*1-3-4-5-6(2)7;3-1(4)2(5)6/h2*6H,3-5,7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMEYXOVZZLQEMTC-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.20
Rot. Bonds6

About bis(hexan-2-amine);oxalic acid

bis(hexan-2-amine);oxalic acid (PubChem CID 175216358) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is bis(hexan-2-amine);oxalic acid.

Molecular Properties

Compound Namebis(hexan-2-amine);oxalic acid
PubChem CID175216358
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Namebis(hexan-2-amine);oxalic acid
SMILESCCCCC(C)N.CCCCC(C)N.O=C(O)C(=O)O
InChIInChI=1S/2C6H15N.C2H2O4/c2*1-3-4-5-6(2)7;3-1(4)2(5)6/h2*6H,3-5,7H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMEYXOVZZLQEMTC-UHFFFAOYSA-N
XLogP2.20
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(hexan-2-amine);hexanedioic acid
CID 174667104
carbamic acid;undecan-2-amine
CID 175209089
propanoic acid;tetradecan-2-amine
CID 173174901
hexan-2-amine;phosphoric acid;propane
CID 175129773
2-aminoundecan-6-one
CID 116610207
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
6-amino-2-oxoheptanoic acid
CID 87327623
(2S)-tridecan-2-amine
CID 24884182
(2S)-tetradecan-2-amine
CID 25021238
(2S)-nonadecan-2-amine
CID 94864909
hexan-2-amine;pyridine-4-carboxylic acid
CID 159105721
(2S)-2-(5-aminohexanoylamino)hexanoic acid
CID 107146995

Frequently Asked Questions

What is the IUPAC name of bis(hexan-2-amine);oxalic acid?
The IUPAC name of bis(hexan-2-amine);oxalic acid (CID 175216358) is bis(hexan-2-amine);oxalic acid.
What is the SMILES notation for bis(hexan-2-amine);oxalic acid?
The canonical SMILES for bis(hexan-2-amine);oxalic acid is CCCCC(C)N.CCCCC(C)N.O=C(O)C(=O)O.
What is the InChIKey of bis(hexan-2-amine);oxalic acid?
The InChIKey is MEYXOVZZLQEMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.C2H2O4/c2*1-3-4-5-6(2)7;3-1(4)2(5)6/h2*6H,3-5,7H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of bis(hexan-2-amine);oxalic acid?
bis(hexan-2-amine);oxalic acid has a molecular weight of 292.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexan-2-amine);oxalic acid is sourced from PubChem (CID 175216358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).