(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine

C12H23NO — CID 143008315

IUPAC(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine
SMILESC/C=C\C.CC/C=C/C(C)/C=N/OC
InChIInChI=1S/C8H15NO.C4H8/c1-4-5-6-8(2)7-9-10-3;1-3-4-2/h5-8H,4H2,1-3H3;3-4H,1-2H3/b6-5+,9-7+;4-3-
InChIKeyGNHBEHINMJTIPA-YCMXQWPISA-N
MW197.32 g/mol
LogP3.80
Rot. Bonds4

About (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine

(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine (PubChem CID 143008315) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine.

Molecular Properties

Compound Name(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine
PubChem CID143008315
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine
SMILESC/C=C\C.CC/C=C/C(C)/C=N/OC
InChIInChI=1S/C8H15NO.C4H8/c1-4-5-6-8(2)7-9-10-3;1-3-4-2/h5-8H,4H2,1-3H3;3-4H,1-2H3/b6-5+,9-7+;4-3-
InChIKeyGNHBEHINMJTIPA-YCMXQWPISA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine?
The IUPAC name of (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine (CID 143008315) is (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine.
What is the SMILES notation for (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine?
The canonical SMILES for (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine is C/C=C\C.CC/C=C/C(C)/C=N/OC.
What is the InChIKey of (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine?
The InChIKey is GNHBEHINMJTIPA-YCMXQWPISA-N. The full InChI is InChI=1S/C8H15NO.C4H8/c1-4-5-6-8(2)7-9-10-3;1-3-4-2/h5-8H,4H2,1-3H3;3-4H,1-2H3/b6-5+,9-7+;4-3-.
What are the key properties of (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine?
(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine has a molecular weight of 197.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine is sourced from PubChem (CID 143008315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).