acetic acid;methanediamine

C3H10N2O2 — CID 162329452

IUPACacetic acid;methanediamine
SMILESCC(=O)O.NCN
InChIInChI=1S/C2H4O2.CH6N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1-3H2
InChIKeyQYCSXDUTDLMDGY-UHFFFAOYSA-N
MW106.12 g/mol
LogP-1.05
Rot. Bonds

About acetic acid;methanediamine

acetic acid;methanediamine (PubChem CID 162329452) has the molecular formula C3H10N2O2 and a molecular weight of 106.12 g/mol. Its IUPAC name is acetic acid;methanediamine.

Molecular Properties

Compound Nameacetic acid;methanediamine
PubChem CID162329452
Molecular FormulaC3H10N2O2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC Nameacetic acid;methanediamine
SMILESCC(=O)O.NCN
InChIInChI=1S/C2H4O2.CH6N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1-3H2
InChIKeyQYCSXDUTDLMDGY-UHFFFAOYSA-N
XLogP-1.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 173022458
CID 173022458
CID 173241709
CID 173241709
acetic acid;copper;ethane-1,2-diamine
CID 88782929
acetic acid;chloromethanamine
CID 162328321
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;azane;ethane-1,2-diamine;dihydrochloride
CID 175302181
acetic acid;2-aminoacetic acid;azane
CID 175048501
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 161328323
CID 161328323

Frequently Asked Questions

What is the IUPAC name of acetic acid;methanediamine?
The IUPAC name of acetic acid;methanediamine (CID 162329452) is acetic acid;methanediamine.
What is the SMILES notation for acetic acid;methanediamine?
The canonical SMILES for acetic acid;methanediamine is CC(=O)O.NCN.
What is the InChIKey of acetic acid;methanediamine?
The InChIKey is QYCSXDUTDLMDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH6N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1-3H2.
What are the key properties of acetic acid;methanediamine?
acetic acid;methanediamine has a molecular weight of 106.12 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanediamine is sourced from PubChem (CID 162329452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).