2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine

C8H16N2O — CID 135301235

IUPAC2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine
SMILES[H]/N=C/C=C(/C)OCCN(C)C
InChIInChI=1S/C8H16N2O/c1-8(4-5-9)11-7-6-10(2)3/h4-5,9H,6-7H2,1-3H3/b8-4-,9-5+
InChIKeyAMZGVISXLWXEDN-MVTUOISNSA-N
MW156.23 g/mol
LogP1.12
Rot. Bonds5

About 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine

2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 135301235) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine
PubChem CID135301235
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine
SMILES[H]/N=C/C=C(/C)OCCN(C)C
InChIInChI=1S/C8H16N2O/c1-8(4-5-9)11-7-6-10(2)3/h4-5,9H,6-7H2,1-3H3/b8-4-,9-5+
InChIKeyAMZGVISXLWXEDN-MVTUOISNSA-N
XLogP1.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis[2-(dimethylamino)ethoxy]methanethione
CID 88923851
2-(dimethylamino)ethyl butanoate;(2E,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dien-1-imine
CID 165407962
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
2-(dimethylamino)ethyl 2-methyl-2-sulfanylbutanoate
CID 170292984
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
CID 174335600
2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 89069139
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
2-(dimethylamino)ethyl hypoiodite
CID 87171077
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine (CID 135301235) is 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine is [H]/N=C/C=C(/C)OCCN(C)C.
What is the InChIKey of 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is AMZGVISXLWXEDN-MVTUOISNSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(4-5-9)11-7-6-10(2)3/h4-5,9H,6-7H2,1-3H3/b8-4-,9-5+.
What are the key properties of 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine?
2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 156.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-iminobut-2-en-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 135301235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).