(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine

C13H26N2O3 — CID 54602333

IUPAC(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine
SMILESCCCC/C(COC)=N\N=C(\CCOC)COC
InChIInChI=1S/C13H26N2O3/c1-5-6-7-12(10-17-3)14-15-13(11-18-4)8-9-16-2/h5-11H2,1-4H3/b14-12+,15-13-
InChIKeyMPSCRMQJFKLNGL-GQJHWZHGSA-N
MW258.36 g/mol
LogP2.30
Rot. Bonds11

About (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine

(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine (PubChem CID 54602333) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine
PubChem CID54602333
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine
SMILESCCCC/C(COC)=N\N=C(\CCOC)COC
InChIInChI=1S/C13H26N2O3/c1-5-6-7-12(10-17-3)14-15-13(11-18-4)8-9-16-2/h5-11H2,1-4H3/b14-12+,15-13-
InChIKeyMPSCRMQJFKLNGL-GQJHWZHGSA-N
XLogP2.30
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1,4-dimethoxybutan-2-imine
CID 5380761
(Z)-1,4-dimethoxybutan-2-ylidenehydrazine
CID 6381340
(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
CID 6392818
N-trimethylsilylnonan-5-imine
CID 11063777
1-methoxytridecan-3-one
CID 62620260
butan-1-ol;1,2-dimethoxyethane
CID 86595378
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
hexan-2-one;2-methoxyethanol
CID 158133089
methoxymethane;pentane
CID 87151149
1-methoxyhexacosane
CID 20780514
magnesium;1-methoxybutane;diiodide
CID 175076057
1-methoxypentane;oxolane
CID 160798368

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine?
The IUPAC name of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine (CID 54602333) is (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine.
What is the SMILES notation for (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine?
The canonical SMILES for (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine is CCCC/C(COC)=N\N=C(\CCOC)COC.
What is the InChIKey of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine?
The InChIKey is MPSCRMQJFKLNGL-GQJHWZHGSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-7-12(10-17-3)14-15-13(11-18-4)8-9-16-2/h5-11H2,1-4H3/b14-12+,15-13-.
What are the key properties of (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine?
(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine has a molecular weight of 258.36 g/mol, XLogP of 2.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine is sourced from PubChem (CID 54602333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).