N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine

C8H16N2O — CID 18356424

IUPACN-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine
SMILESCCO/C=C(C)/C=N/N(C)C
InChIInChI=1S/C8H16N2O/c1-5-11-7-8(2)6-9-10(3)4/h6-7H,5H2,1-4H3/b8-7+,9-6+
InChIKeyOOAALTFXUORECD-KHHFIZIMSA-N
MW156.23 g/mol
LogP1.47
Rot. Bonds4

About N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine

N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine (PubChem CID 18356424) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine
PubChem CID18356424
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine
SMILESCCO/C=C(C)/C=N/N(C)C
InChIInChI=1S/C8H16N2O/c1-5-11-7-8(2)6-9-10(3)4/h6-7H,5H2,1-4H3/b8-7+,9-6+
InChIKeyOOAALTFXUORECD-KHHFIZIMSA-N
XLogP1.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1,1-dimethylhydrazine;(E)-3-ethoxy-2-methylprop-2-enal;N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine
CID 172980874
(E)-3-ethoxy-N,2-dimethylprop-2-en-1-imine
CID 163855599
N-methyl-N-[(E)-[(2E,4E)-2-methylundeca-2,4-dienylidene]amino]methanamine
CID 24740811
(Z)-1,2-diethoxyprop-1-ene
CID 56606177
3-(ethoxymethylidene)-2,4-dimethylpenta-1,4-diene
CID 90777101
1-ethoxy-2-methylprop-1-ene;1-methoxy-2-methylprop-1-ene
CID 87702218
N-ethyl-N-[(Z)-[(E)-2-methylbut-2-enylidene]amino]ethanamine
CID 5365297
N-[(E)-2-fluoroprop-2-enylideneamino]-N-methylmethanamine
CID 19701071
2-(ethoxymethylidene)butanenitrile
CID 54138132
2-dichlorophosphoryl-1-ethoxyprop-1-ene
CID 71447152
N'-amino-2-(dimethylhydrazinylidene)ethanimidamide
CID 163212652
2-tert-butylsulfonyl-3-ethoxyprop-2-enenitrile
CID 3363128

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine (CID 18356424) is N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine is CCO/C=C(C)/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine?
The InChIKey is OOAALTFXUORECD-KHHFIZIMSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-11-7-8(2)6-9-10(3)4/h6-7H,5H2,1-4H3/b8-7+,9-6+.
What are the key properties of N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine?
N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine has a molecular weight of 156.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 18356424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).