(E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal

C8H16N2O — CID 5364086

IUPAC(E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
SMILESCC(C)N/C(C=O)=C/N(C)C
InChIInChI=1S/C8H16N2O/c1-7(2)9-8(6-11)5-10(3)4/h5-7,9H,1-4H3/b8-5+
InChIKeyMVZPVHJIBWFIDS-VMPITWQZSA-N
MW156.23 g/mol
LogP0.59
Rot. Bonds4

About (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal

(E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal (PubChem CID 5364086) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
PubChem CID5364086
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
SMILESCC(C)N/C(C=O)=C/N(C)C
InChIInChI=1S/C8H16N2O/c1-7(2)9-8(6-11)5-10(3)4/h5-7,9H,1-4H3/b8-5+
InChIKeyMVZPVHJIBWFIDS-VMPITWQZSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.59
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-Amino-3-(dimethylamino)prop-2-enal
CID 76224519
3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 541490
2-Propenal, 2-(diethylamino)-3-(dimethylamino)-
CID 5367695
2-Propenal, 3-(dimethylamino)-2-(methylamino)-
CID 5371636
(Z)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 21159827
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
CID 89094997
(Z)-2-amino-3-(prop-1-en-2-ylamino)prop-2-enal
CID 89228251
(Z)-3-amino-2-(methylamino)prop-2-enal
CID 89738463
(Z)-3-amino-2-(2-oxoethylamino)prop-2-enal
CID 89901137
(Z)-3-amino-2-(ethylamino)prop-2-enal
CID 89901305

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
The IUPAC name of (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal (CID 5364086) is (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal.
What is the SMILES notation for (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
The canonical SMILES for (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal is CC(C)N/C(C=O)=C/N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
The InChIKey is MVZPVHJIBWFIDS-VMPITWQZSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(2)9-8(6-11)5-10(3)4/h5-7,9H,1-4H3/b8-5+.
What are the key properties of (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal?
(E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal has a molecular weight of 156.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal is sourced from PubChem (CID 5364086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).