(2R)-2-[amino(methyl)amino]propanal

C4H10N2O — CID 88863582

IUPAC(2R)-2-[amino(methyl)amino]propanal
SMILESC[C@H](C=O)N(C)N
InChIInChI=1S/C4H10N2O/c1-4(3-7)6(2)5/h3-4H,5H2,1-2H3/t4-/m1/s1
InChIKeyWMQVQCPDPMVXOH-SCSAIBSYSA-N
MW102.14 g/mol
LogP-0.62
Rot. Bonds2

About (2R)-2-[amino(methyl)amino]propanal

(2R)-2-[amino(methyl)amino]propanal (PubChem CID 88863582) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (2R)-2-[amino(methyl)amino]propanal.

Molecular Properties

Compound Name(2R)-2-[amino(methyl)amino]propanal
PubChem CID88863582
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(2R)-2-[amino(methyl)amino]propanal
SMILESC[C@H](C=O)N(C)N
InChIInChI=1S/C4H10N2O/c1-4(3-7)6(2)5/h3-4H,5H2,1-2H3/t4-/m1/s1
InChIKeyWMQVQCPDPMVXOH-SCSAIBSYSA-N
XLogP-0.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
(2S)-2-(N-methylanilino)propanal
CID 21019512
1-[amino(methyl)amino]-N,N-dimethylethanamine
CID 155062112
2-methylpropanal;zirconium
CID 87321410
2-methylpropanal;titanium
CID 87093638
CID 168860991
CID 168860991
N-amino-N-(dimethylamino)methanamine
CID 57458956
2-(dimethylamino)-N-methyl-N-(1-oxopropan-2-yl)-3-sulfanylpropanamide
CID 58435614
hydrogen peroxide;2-methylpropanal
CID 174448714
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
hydride;2-methylpropanal;rubidium(1+)
CID 173100636
chloromethane;2-methylpropanal
CID 145351273

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[amino(methyl)amino]propanal?
The IUPAC name of (2R)-2-[amino(methyl)amino]propanal (CID 88863582) is (2R)-2-[amino(methyl)amino]propanal.
What is the SMILES notation for (2R)-2-[amino(methyl)amino]propanal?
The canonical SMILES for (2R)-2-[amino(methyl)amino]propanal is C[C@H](C=O)N(C)N.
What is the InChIKey of (2R)-2-[amino(methyl)amino]propanal?
The InChIKey is WMQVQCPDPMVXOH-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-4(3-7)6(2)5/h3-4H,5H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-[amino(methyl)amino]propanal?
(2R)-2-[amino(methyl)amino]propanal has a molecular weight of 102.14 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[amino(methyl)amino]propanal is sourced from PubChem (CID 88863582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).