(Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine

C10H19NO — CID 59782172

IUPAC(Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine
SMILESC/N=C(\C=C(\C)OC)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(12-6)7-9(11-5)10(2,3)4/h7H,1-6H3/b8-7-,11-9+
InChIKeyXWMXZXKGMZATBU-NSXXKTIASA-N
MW169.27 g/mol
LogP2.65
Rot. Bonds2

About (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine

(Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine (PubChem CID 59782172) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine
PubChem CID59782172
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine
SMILESC/N=C(\C=C(\C)OC)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(12-6)7-9(11-5)10(2,3)4/h7H,1-6H3/b8-7-,11-9+
InChIKeyXWMXZXKGMZATBU-NSXXKTIASA-N
XLogP2.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine?
The IUPAC name of (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine (CID 59782172) is (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine.
What is the SMILES notation for (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine?
The canonical SMILES for (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine is C/N=C(\C=C(\C)OC)C(C)(C)C.
What is the InChIKey of (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine?
The InChIKey is XWMXZXKGMZATBU-NSXXKTIASA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12-6)7-9(11-5)10(2,3)4/h7H,1-6H3/b8-7-,11-9+.
What are the key properties of (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine?
(Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine has a molecular weight of 169.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxy-N,2,2-trimethylhex-4-en-3-imine is sourced from PubChem (CID 59782172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).