ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine

C11H22N2 — CID 145378916

IUPACethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
SMILESC=C(C)/C=N\C(=C)N(C)CC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-6-11(5)9(4)10-7-8(2)3;1-2/h7H,2,4,6H2,1,3,5H3;1-2H3/b10-7-;
InChIKeyBNNGABFQVBEWFR-VEZAGKLZSA-N
MW182.31 g/mol
LogP3.08
Rot. Bonds4

About ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine

ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine (PubChem CID 145378916) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine.

Molecular Properties

Compound Nameethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
PubChem CID145378916
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine
SMILESC=C(C)/C=N\C(=C)N(C)CC.CC
InChIInChI=1S/C9H16N2.C2H6/c1-6-11(5)9(4)10-7-8(2)3;1-2/h7H,2,4,6H2,1,3,5H3;1-2H3/b10-7-;
InChIKeyBNNGABFQVBEWFR-VEZAGKLZSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Dimethylamino)methylene]-N1,N1,N3,N3-tetramethyl-1,3-propanediaminium
CID 10981176
3,5-Dimethylpyrimidine
CID 19425184
N,N,N'-trimethyl-N'-[1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143795995
1-Dimethylamino-2-methylpropenylidenedimethylammonium iodide
CID 129808787
(1E)-N-[1-[2-(dimethylamino)ethyl-methylamino]ethenyl]-2-methylprop-2-enimidoyl fluoride
CID 172631824
[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 10803096
[(Z)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 12226447
1,2,5-trimethyl-2H-pyrimidine
CID 17852312
5-Methyl-1-propan-2-yl-2-propan-2-ylidenepyrimidine
CID 58763170
1,5-Dimethyl-2-methylidenepyrimidine
CID 60079348
5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 87085174
(Z)-N-ethyl-3-imino-N,2-dimethyl-1-(methylideneamino)prop-1-en-1-amine
CID 118972931

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine?
The IUPAC name of ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine (CID 145378916) is ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine.
What is the SMILES notation for ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine?
The canonical SMILES for ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine is C=C(C)/C=N\C(=C)N(C)CC.CC.
What is the InChIKey of ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine?
The InChIKey is BNNGABFQVBEWFR-VEZAGKLZSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-6-11(5)9(4)10-7-8(2)3;1-2/h7H,2,4,6H2,1,3,5H3;1-2H3/b10-7-;.
What are the key properties of ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine?
ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine has a molecular weight of 182.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methyl-1-[(Z)-2-methylprop-2-enylideneamino]ethenamine is sourced from PubChem (CID 145378916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).