(E)-3-methoxyhex-3-ene-2,5-diimine

C7H12N2O — CID 143987842

IUPAC(E)-3-methoxyhex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C(OC)\C(C)=N\[H]
InChIInChI=1S/C7H12N2O/c1-5(8)4-7(10-3)6(2)9/h4,8-9H,1-3H3/b7-4+,8-5+,9-6+
InChIKeyHFBIDTKNBQBMAB-OTWDQPKHSA-N
MW140.19 g/mol
LogP1.60
Rot. Bonds3

About (E)-3-methoxyhex-3-ene-2,5-diimine

(E)-3-methoxyhex-3-ene-2,5-diimine (PubChem CID 143987842) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-3-methoxyhex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(E)-3-methoxyhex-3-ene-2,5-diimine
PubChem CID143987842
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-3-methoxyhex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C(OC)\C(C)=N\[H]
InChIInChI=1S/C7H12N2O/c1-5(8)4-7(10-3)6(2)9/h4,8-9H,1-3H3/b7-4+,8-5+,9-6+
InChIKeyHFBIDTKNBQBMAB-OTWDQPKHSA-N
XLogP1.60
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
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

(Z)-4-methoxypent-3-en-2-imine
CID 12462133
2,5-Dimethoxy benzoquinone diimine
CID 53963286
2,6-Dimethoxycyclohexa-2,5-diene-1,4-diimine
CID 54361792
(Z)-4-iminopent-2-en-2-olate
CID 58104794
(E)-3-methoxy-2-N-methylhex-3-ene-2,5-diimine
CID 89591064
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-3-methoxy-4-methylhex-3-en-2-imine
CID 91549951
(Z)-4-methoxy-5,5-dimethylhex-3-en-2-imine
CID 117717664
(3E)-3-chloro-6-methoxyocta-3,6-diene-2,5-diimine
CID 117885610
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
(E)-5-methoxyhex-4-en-3-imine
CID 123206559

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxyhex-3-ene-2,5-diimine?
The IUPAC name of (E)-3-methoxyhex-3-ene-2,5-diimine (CID 143987842) is (E)-3-methoxyhex-3-ene-2,5-diimine.
What is the SMILES notation for (E)-3-methoxyhex-3-ene-2,5-diimine?
The canonical SMILES for (E)-3-methoxyhex-3-ene-2,5-diimine is [H]/N=C(C)/C=C(OC)\C(C)=N\[H].
What is the InChIKey of (E)-3-methoxyhex-3-ene-2,5-diimine?
The InChIKey is HFBIDTKNBQBMAB-OTWDQPKHSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(8)4-7(10-3)6(2)9/h4,8-9H,1-3H3/b7-4+,8-5+,9-6+.
What are the key properties of (E)-3-methoxyhex-3-ene-2,5-diimine?
(E)-3-methoxyhex-3-ene-2,5-diimine has a molecular weight of 140.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxyhex-3-ene-2,5-diimine is sourced from PubChem (CID 143987842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).