2-[dimethylamino(methyl)amino]prop-2-enal

C6H12N2O — CID 134399506

IUPAC2-[dimethylamino(methyl)amino]prop-2-enal
SMILESC=C(C=O)N(C)N(C)C
InChIInChI=1S/C6H12N2O/c1-6(5-9)8(4)7(2)3/h5H,1H2,2-4H3
InChIKeyRYXRWWJKFWYANA-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.11
Rot. Bonds3

About 2-[dimethylamino(methyl)amino]prop-2-enal

2-[dimethylamino(methyl)amino]prop-2-enal (PubChem CID 134399506) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[dimethylamino(methyl)amino]prop-2-enal.

Molecular Properties

Compound Name2-[dimethylamino(methyl)amino]prop-2-enal
PubChem CID134399506
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-[dimethylamino(methyl)amino]prop-2-enal
SMILESC=C(C=O)N(C)N(C)C
InChIInChI=1S/C6H12N2O/c1-6(5-9)8(4)7(2)3/h5H,1H2,2-4H3
InChIKeyRYXRWWJKFWYANA-UHFFFAOYSA-N
XLogP0.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dimethylaminoacroleine
CID 12773248
2-Propenal, 2,3-bis(dimethylamino)-
CID 5371442
2-(Diethylamino)prop-2-enal
CID 12773250
2-(Methyldiazenyl)prop-2-enal
CID 58989059
2-[Methyl(methylamino)amino]prop-2-enal
CID 132077763
(Z)-2-[methyl-(methylideneamino)amino]but-2-enal
CID 144718131
2-[Methyl-(methylideneamino)amino]prop-2-enal
CID 154681845
2-[Ethyl(methyl)amino]prop-2-enal
CID 164040586
2,3-Bis(dimethylamino)prop-2-enal
CID 580472
(Z)-2,3-bis(dimethylamino)prop-2-enal
CID 21160487
2-[Amino(ethyl)amino]prop-2-enal
CID 170571056

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino(methyl)amino]prop-2-enal?
The IUPAC name of 2-[dimethylamino(methyl)amino]prop-2-enal (CID 134399506) is 2-[dimethylamino(methyl)amino]prop-2-enal.
What is the SMILES notation for 2-[dimethylamino(methyl)amino]prop-2-enal?
The canonical SMILES for 2-[dimethylamino(methyl)amino]prop-2-enal is C=C(C=O)N(C)N(C)C.
What is the InChIKey of 2-[dimethylamino(methyl)amino]prop-2-enal?
The InChIKey is RYXRWWJKFWYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(5-9)8(4)7(2)3/h5H,1H2,2-4H3.
What are the key properties of 2-[dimethylamino(methyl)amino]prop-2-enal?
2-[dimethylamino(methyl)amino]prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino(methyl)amino]prop-2-enal is sourced from PubChem (CID 134399506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).