oxalic acid;bis(propan-1-amine)

C8H20N2O4 — CID 173398819

IUPACoxalic acid;bis(propan-1-amine)
SMILESCCCN.CCCN.O=C(O)C(=O)O
InChIInChI=1S/2C3H9N.C2H2O4/c2*1-2-3-4;3-1(4)2(5)6/h2*2-4H2,1H3;(H,3,4)(H,5,6)
InChIKeyKOXZKJOOLJCVBJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.13
Rot. Bonds2

About oxalic acid;bis(propan-1-amine)

oxalic acid;bis(propan-1-amine) (PubChem CID 173398819) has the molecular formula C8H20N2O4 and a molecular weight of 208.26 g/mol. Its IUPAC name is oxalic acid;bis(propan-1-amine).

Molecular Properties

Compound Nameoxalic acid;bis(propan-1-amine)
PubChem CID173398819
Molecular FormulaC8H20N2O4
Molecular Weight208.26 g/mol
Exact Mass208.14
IUPAC Nameoxalic acid;bis(propan-1-amine)
SMILESCCCN.CCCN.O=C(O)C(=O)O
InChIInChI=1S/2C3H9N.C2H2O4/c2*1-2-3-4;3-1(4)2(5)6/h2*2-4H2,1H3;(H,3,4)(H,5,6)
InChIKeyKOXZKJOOLJCVBJ-UHFFFAOYSA-N
XLogP-0.13
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.13
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

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CID 118437692
propanamide;bis(propan-1-amine)
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oxalic acid;pentane
CID 158926498
ethanol;oxalic acid
CID 172820699
ethane-1,2-diamine;propanoic acid
CID 87109633
icosane;oxalic acid
CID 175691290
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CID 87882267
methanamine;propan-1-amine
CID 174401189
tetrakis(propan-1-amine);hydrochloride
CID 175147517
1-(2-aminoethyl)-3-butylurea;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(propan-1-amine)?
The IUPAC name of oxalic acid;bis(propan-1-amine) (CID 173398819) is oxalic acid;bis(propan-1-amine).
What is the SMILES notation for oxalic acid;bis(propan-1-amine)?
The canonical SMILES for oxalic acid;bis(propan-1-amine) is CCCN.CCCN.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;bis(propan-1-amine)?
The InChIKey is KOXZKJOOLJCVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.C2H2O4/c2*1-2-3-4;3-1(4)2(5)6/h2*2-4H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(propan-1-amine)?
oxalic acid;bis(propan-1-amine) has a molecular weight of 208.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(propan-1-amine) is sourced from PubChem (CID 173398819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).