(E,6S)-4-methoxy-6-methyloct-3-en-2-imine

C10H19NO — CID 174046390

IUPAC(E,6S)-4-methoxy-6-methyloct-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C[C@@H](C)CC)OC
InChIInChI=1S/C10H19NO/c1-5-8(2)6-10(12-4)7-9(3)11/h7-8,11H,5-6H2,1-4H3/b10-7+,11-9+/t8-/m0/s1
InChIKeyFHOXMWDNWFUFBE-BVTDULSISA-N
MW169.27 g/mol
LogP2.99
Rot. Bonds5

About (E,6S)-4-methoxy-6-methyloct-3-en-2-imine

(E,6S)-4-methoxy-6-methyloct-3-en-2-imine (PubChem CID 174046390) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E,6S)-4-methoxy-6-methyloct-3-en-2-imine.

Molecular Properties

Compound Name(E,6S)-4-methoxy-6-methyloct-3-en-2-imine
PubChem CID174046390
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E,6S)-4-methoxy-6-methyloct-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C[C@@H](C)CC)OC
InChIInChI=1S/C10H19NO/c1-5-8(2)6-10(12-4)7-9(3)11/h7-8,11H,5-6H2,1-4H3/b10-7+,11-9+/t8-/m0/s1
InChIKeyFHOXMWDNWFUFBE-BVTDULSISA-N
XLogP2.99
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of (E,6S)-4-methoxy-6-methyloct-3-en-2-imine?
The IUPAC name of (E,6S)-4-methoxy-6-methyloct-3-en-2-imine (CID 174046390) is (E,6S)-4-methoxy-6-methyloct-3-en-2-imine.
What is the SMILES notation for (E,6S)-4-methoxy-6-methyloct-3-en-2-imine?
The canonical SMILES for (E,6S)-4-methoxy-6-methyloct-3-en-2-imine is [H]/N=C(C)/C=C(\C[C@@H](C)CC)OC.
What is the InChIKey of (E,6S)-4-methoxy-6-methyloct-3-en-2-imine?
The InChIKey is FHOXMWDNWFUFBE-BVTDULSISA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(2)6-10(12-4)7-9(3)11/h7-8,11H,5-6H2,1-4H3/b10-7+,11-9+/t8-/m0/s1.
What are the key properties of (E,6S)-4-methoxy-6-methyloct-3-en-2-imine?
(E,6S)-4-methoxy-6-methyloct-3-en-2-imine has a molecular weight of 169.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-4-methoxy-6-methyloct-3-en-2-imine is sourced from PubChem (CID 174046390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).