(E)-3-methoxyhex-3-en-2-imine

C7H13NO — CID 123163925

IUPAC(E)-3-methoxyhex-3-en-2-imine
SMILES[H]/N=C(C)/C(=C\CC)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(9-3)6(2)8/h5,8H,4H2,1-3H3/b7-5+,8-6+
InChIKeyNBSZPJDQGAKYQG-KQQUZDAGSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds3

About (E)-3-methoxyhex-3-en-2-imine

(E)-3-methoxyhex-3-en-2-imine (PubChem CID 123163925) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-3-methoxyhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-methoxyhex-3-en-2-imine
PubChem CID123163925
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-3-methoxyhex-3-en-2-imine
SMILES[H]/N=C(C)/C(=C\CC)OC
InChIInChI=1S/C7H13NO/c1-4-5-7(9-3)6(2)8/h5,8H,4H2,1-3H3/b7-5+,8-6+
InChIKeyNBSZPJDQGAKYQG-KQQUZDAGSA-N
XLogP1.97
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(Z)-4-methoxy-3-methylpent-3-en-2-imine
CID 12462135
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
3-Methoxybut-3-en-2-imine
CID 123169062
(E)-5-methoxyhex-4-en-3-imine
CID 123206559

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxyhex-3-en-2-imine?
The IUPAC name of (E)-3-methoxyhex-3-en-2-imine (CID 123163925) is (E)-3-methoxyhex-3-en-2-imine.
What is the SMILES notation for (E)-3-methoxyhex-3-en-2-imine?
The canonical SMILES for (E)-3-methoxyhex-3-en-2-imine is [H]/N=C(C)/C(=C\CC)OC.
What is the InChIKey of (E)-3-methoxyhex-3-en-2-imine?
The InChIKey is NBSZPJDQGAKYQG-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-7(9-3)6(2)8/h5,8H,4H2,1-3H3/b7-5+,8-6+.
What are the key properties of (E)-3-methoxyhex-3-en-2-imine?
(E)-3-methoxyhex-3-en-2-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxyhex-3-en-2-imine is sourced from PubChem (CID 123163925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).