2-aminoacetaldehyde;methanediamine

C3H11N3O — CID 163797808

IUPAC2-aminoacetaldehyde;methanediamine
SMILESNCC=O.NCN
InChIInChI=1S/C2H5NO.CH6N2/c3-1-2-4;2-1-3/h2H,1,3H2;1-3H2
InChIKeyNCIKVKFDWVLNEC-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.99
Rot. Bonds1

About 2-aminoacetaldehyde;methanediamine

2-aminoacetaldehyde;methanediamine (PubChem CID 163797808) has the molecular formula C3H11N3O and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-aminoacetaldehyde;methanediamine.

Molecular Properties

Compound Name2-aminoacetaldehyde;methanediamine
PubChem CID163797808
Molecular FormulaC3H11N3O
Molecular Weight105.14 g/mol
Exact Mass105.09
IUPAC Name2-aminoacetaldehyde;methanediamine
SMILESNCC=O.NCN
InChIInChI=1S/C2H5NO.CH6N2/c3-1-2-4;2-1-3/h2H,1,3H2;1-3H2
InChIKeyNCIKVKFDWVLNEC-UHFFFAOYSA-N
XLogP-1.99
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aluminum 2-aminoacetaldehyde
CID 18366339
2-aminoacetaldehyde;molecular hydrogen;propane
CID 162518471
2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane
CID 159516674
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069
2-amino-1-tritioethanone
CID 123742496
2-aminoacetaldehyde;1-methoxypropane
CID 142289100
N-(aminomethyl)-N-formylformamide
CID 158356927
propanal;propane
CID 91031727
propanal;trihydrochloride
CID 140558923
ethane-1,2-diamine;formamide
CID 19935247
methane;propanal
CID 159115270
2-aminoacetaldehyde;carbonic acid;bis(2-methylpropane);1,4-xylene
CID 173007512

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;methanediamine?
The IUPAC name of 2-aminoacetaldehyde;methanediamine (CID 163797808) is 2-aminoacetaldehyde;methanediamine.
What is the SMILES notation for 2-aminoacetaldehyde;methanediamine?
The canonical SMILES for 2-aminoacetaldehyde;methanediamine is NCC=O.NCN.
What is the InChIKey of 2-aminoacetaldehyde;methanediamine?
The InChIKey is NCIKVKFDWVLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH6N2/c3-1-2-4;2-1-3/h2H,1,3H2;1-3H2.
What are the key properties of 2-aminoacetaldehyde;methanediamine?
2-aminoacetaldehyde;methanediamine has a molecular weight of 105.14 g/mol, XLogP of -1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;methanediamine is sourced from PubChem (CID 163797808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).