(E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal

C9H18N2O — CID 5367695

IUPAC(E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal
SMILESCCN(CC)/C(C=O)=C/N(C)C
InChIInChI=1S/C9H18N2O/c1-5-11(6-2)9(8-12)7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyYWPAMAUHYJKXQO-VQHVLOKHSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds5

About (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal

(E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal (PubChem CID 5367695) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal
PubChem CID5367695
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal
SMILESCCN(CC)/C(C=O)=C/N(C)C
InChIInChI=1S/C9H18N2O/c1-5-11(6-2)9(8-12)7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyYWPAMAUHYJKXQO-VQHVLOKHSA-N
XLogP0.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
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'}

Analyze (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Diethylamino-2-butenal
CID 73308882
(E)-2-(diethylamino)but-2-enal
CID 12773254
2-Amino-3-(dimethylamino)prop-2-enal
CID 76224519
(E)-3-[di(propan-2-yl)amino]prop-2-enal
CID 13807280
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
(Z)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 21159827
2-(Diethylamino)prop-2-enal
CID 12773250
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
3-[Di(propan-2-yl)amino]prop-2-enal
CID 85864580
2-(dimethylamino)-1,3-dimethyl-2H-imidazole-4-carbaldehyde
CID 87448690

Frequently Asked Questions

What is the IUPAC name of (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal?
The IUPAC name of (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal (CID 5367695) is (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal is CCN(CC)/C(C=O)=C/N(C)C.
What is the InChIKey of (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal?
The InChIKey is YWPAMAUHYJKXQO-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-11(6-2)9(8-12)7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+.
What are the key properties of (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal?
(E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal has a molecular weight of 170.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(diethylamino)-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 5367695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).