(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal

C6H12N2O — CID 89094997

IUPAC(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
SMILESCCN/C(C=O)=C\NC
InChIInChI=1S/C6H12N2O/c1-3-8-6(5-9)4-7-2/h4-5,7-8H,3H2,1-2H3/b6-4-
InChIKeyHFFASODQKFTVCB-XQRVVYSFSA-N
MW128.17 g/mol
LogP-0.14
Rot. Bonds4

About (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal

(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal (PubChem CID 89094997) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
PubChem CID89094997
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal
SMILESCCN/C(C=O)=C\NC
InChIInChI=1S/C6H12N2O/c1-3-8-6(5-9)4-7-2/h4-5,7-8H,3H2,1-2H3/b6-4-
InChIKeyHFFASODQKFTVCB-XQRVVYSFSA-N
XLogP-0.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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

(Z)-2-(methylamino)pent-2-enal
CID 144647822
(E)-2-N-ethyl-1-N-methylbut-1-ene-1,2-diamine
CID 130458461
ethane;(Z)-2-N-ethyl-1-N-methylprop-1-ene-1,2-diamine
CID 142848070
(Z,2E)-2-(methylaminomethylidene)hex-3-enal
CID 143279374
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
1-N,1-N'-diethylprop-1-ene-1,1-diamine
CID 87221910
N,N'-diethyl-2-oxoethanimidamide
CID 123980775
(3E)-N-ethylpenta-1,3-dien-3-amine
CID 142013654
3,3-bis(ethylamino)prop-2-enoic acid
CID 87416208
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
ethyl 2-oxoacetate;N-methylmethanamine
CID 162730007
(2E,4Z)-N-ethyl-7-methylocta-2,4-dien-3-amine
CID 143217992

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal?
The IUPAC name of (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal (CID 89094997) is (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal?
The canonical SMILES for (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal is CCN/C(C=O)=C\NC.
What is the InChIKey of (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal?
The InChIKey is HFFASODQKFTVCB-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-8-6(5-9)4-7-2/h4-5,7-8H,3H2,1-2H3/b6-4-.
What are the key properties of (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal?
(Z)-2-(ethylamino)-3-(methylamino)prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethylamino)-3-(methylamino)prop-2-enal is sourced from PubChem (CID 89094997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).