4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine

C12H24N2O — CID 166528554

IUPAC4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CC(C)CCOCC)/N=C\C
InChIInChI=1S/C12H24N2O/c1-6-13-14(11(3)4)10-12(5)8-9-15-7-2/h6,12H,3,7-10H2,1-2,4-5H3/b13-6-
InChIKeyMXZQJMWLYYTMIY-MLPAPPSSSA-N
MW212.34 g/mol
LogP2.89
Rot. Bonds8

About 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine

4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 166528554) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID166528554
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CC(C)CCOCC)/N=C\C
InChIInChI=1S/C12H24N2O/c1-6-13-14(11(3)4)10-12(5)8-9-15-7-2/h6,12H,3,7-10H2,1-2,4-5H3/b13-6-
InChIKeyMXZQJMWLYYTMIY-MLPAPPSSSA-N
XLogP2.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1,4-diethoxy-2-methylbutane
CID 59899860
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
(5Z)-12-(2-ethoxyethoxy)-6,10-dimethyldodeca-1,5-diene
CID 162701551
5-ethoxy-3-methylpentan-1-amine
CID 87063287
1-ethoxy-3,5,5-trimethylhexane
CID 22002848
1-ethoxy-6-methylheptan-3-ol
CID 115601589
butane;bis(1-ethoxypropane);methane;2-methylbutane;2-methylprop-1-ene;prop-1-en-2-ol
CID 159567642
1-ethoxy-N,5-dimethylhex-4-en-3-amine
CID 105163329
1-ethoxy-17-methyloctadecane
CID 91042875
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
ethoxyethane;2-methylprop-1-ene
CID 19913928
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 166528554) is 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(CC(C)CCOCC)/N=C\C.
What is the InChIKey of 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is MXZQJMWLYYTMIY-MLPAPPSSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-13-14(11(3)4)10-12(5)8-9-15-7-2/h6,12H,3,7-10H2,1-2,4-5H3/b13-6-.
What are the key properties of 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine?
4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-ethylideneamino]-2-methyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 166528554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).