3-(dimethylamino)-2-(methylamino)prop-2-enal

C6H12N2O — CID 581733

IUPAC3-(dimethylamino)-2-(methylamino)prop-2-enal
SMILESCNC(C=O)=CN(C)C
InChIInChI=1S/C6H12N2O/c1-7-6(5-9)4-8(2)3/h4-5,7H,1-3H3
InChIKeyPXKWXGIZCMSLKM-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.19
Rot. Bonds3

About 3-(dimethylamino)-2-(methylamino)prop-2-enal

3-(dimethylamino)-2-(methylamino)prop-2-enal (PubChem CID 581733) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(methylamino)prop-2-enal.

Molecular Properties

Compound Name3-(dimethylamino)-2-(methylamino)prop-2-enal
PubChem CID581733
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-(dimethylamino)-2-(methylamino)prop-2-enal
SMILESCNC(C=O)=CN(C)C
InChIInChI=1S/C6H12N2O/c1-7-6(5-9)4-8(2)3/h4-5,7H,1-3H3
InChIKeyPXKWXGIZCMSLKM-UHFFFAOYSA-N
XLogP-0.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl acrolamide
CID 129863793
2-Formylazirine
CID 129875267
2-Amino-3-(dimethylamino)prop-2-enal
CID 76224519
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]acetamide
CID 55289772
N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide
CID 135052371
3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 541490
3-(Dimethylamino)-2-(isopropylamino)acrolein
CID 5364086
2-Propenal, 2,3-bis(dimethylamino)-
CID 5371442
2-Propenal, 3-(dimethylamino)-2-(methylamino)-
CID 5371636
(Z)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 21159827
2-(Prop-1-en-2-ylamino)acetaldehyde
CID 58781787
2-[[(Z)-2-aminoethenyl]amino]prop-2-enal
CID 87171458

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(methylamino)prop-2-enal?
The IUPAC name of 3-(dimethylamino)-2-(methylamino)prop-2-enal (CID 581733) is 3-(dimethylamino)-2-(methylamino)prop-2-enal.
What is the SMILES notation for 3-(dimethylamino)-2-(methylamino)prop-2-enal?
The canonical SMILES for 3-(dimethylamino)-2-(methylamino)prop-2-enal is CNC(C=O)=CN(C)C.
What is the InChIKey of 3-(dimethylamino)-2-(methylamino)prop-2-enal?
The InChIKey is PXKWXGIZCMSLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-6(5-9)4-8(2)3/h4-5,7H,1-3H3.
What are the key properties of 3-(dimethylamino)-2-(methylamino)prop-2-enal?
3-(dimethylamino)-2-(methylamino)prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(methylamino)prop-2-enal is sourced from PubChem (CID 581733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).