(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine

C9H16N2O — CID 171630884

IUPAC(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
SMILESC=N/C(=C(\N=C/C)OC)C(C)C
InChIInChI=1S/C9H16N2O/c1-6-11-9(12-5)8(10-4)7(2)3/h6-7H,4H2,1-3,5H3/b9-8+,11-6-
InChIKeyLMBFRUSBBOEFHZ-FSJGJIJJSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds4

About (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine

(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine (PubChem CID 171630884) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
PubChem CID171630884
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
SMILESC=N/C(=C(\N=C/C)OC)C(C)C
InChIInChI=1S/C9H16N2O/c1-6-11-9(12-5)8(10-4)7(2)3/h6-7H,4H2,1-3,5H3/b9-8+,11-6-
InChIKeyLMBFRUSBBOEFHZ-FSJGJIJJSA-N
XLogP2.25
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
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'}

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Related Compounds

N-[(Z)-1-methoxyprop-1-enyl]methanimine
CID 144898882
N-[(1Z)-2-(ethylideneamino)-1-methoxy-3-methylbuta-1,3-dienyl]propan-2-imine
CID 89096718
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
CID 142913403
(Z)-1-fluoro-2-methoxy-3-methyl-N-(methylideneamino)but-1-en-1-amine
CID 146393262
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
N-[(1E)-1-methoxy-2-methylbuta-1,3-dienyl]methanimine;propane
CID 143608728
N-(1-methoxyethenyl)methanimine
CID 123326065
(Z)-3-methyl-2-(methylideneamino)-N-(2-methylpropyl)but-1-en-1-amine
CID 170201437
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
O-[(2E,5E)-4-amino-6-methoxy-5-methyl-6-(methylideneamino)hexa-2,5-dien-2-yl]hydroxylamine
CID 90452772

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
The IUPAC name of (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine (CID 171630884) is (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine.
What is the SMILES notation for (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
The canonical SMILES for (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine is C=N/C(=C(\N=C/C)OC)C(C)C.
What is the InChIKey of (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
The InChIKey is LMBFRUSBBOEFHZ-FSJGJIJJSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-11-9(12-5)8(10-4)7(2)3/h6-7H,4H2,1-3,5H3/b9-8+,11-6-.
What are the key properties of (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
(Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine has a molecular weight of 168.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-methoxy-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine is sourced from PubChem (CID 171630884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).