(3R)-6-methoxy-3-methylhexan-2-imine

C8H17NO — CID 130282879

IUPAC(3R)-6-methoxy-3-methylhexan-2-imine
SMILES[H]/N=C(\C)[C@H](C)CCCOC
InChIInChI=1S/C8H17NO/c1-7(8(2)9)5-4-6-10-3/h7,9H,4-6H2,1-3H3/b9-8+/t7-/m1/s1
InChIKeyXHAFHKUMFQJUQP-BDGYDECCSA-N
MW143.23 g/mol
LogP2.09
Rot. Bonds5

About (3R)-6-methoxy-3-methylhexan-2-imine

(3R)-6-methoxy-3-methylhexan-2-imine (PubChem CID 130282879) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3R)-6-methoxy-3-methylhexan-2-imine.

Molecular Properties

Compound Name(3R)-6-methoxy-3-methylhexan-2-imine
PubChem CID130282879
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3R)-6-methoxy-3-methylhexan-2-imine
SMILES[H]/N=C(\C)[C@H](C)CCCOC
InChIInChI=1S/C8H17NO/c1-7(8(2)9)5-4-6-10-3/h7,9H,4-6H2,1-3H3/b9-8+/t7-/m1/s1
InChIKeyXHAFHKUMFQJUQP-BDGYDECCSA-N
XLogP2.09
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-methoxy-3-methylhexan-2-imine?
The IUPAC name of (3R)-6-methoxy-3-methylhexan-2-imine (CID 130282879) is (3R)-6-methoxy-3-methylhexan-2-imine.
What is the SMILES notation for (3R)-6-methoxy-3-methylhexan-2-imine?
The canonical SMILES for (3R)-6-methoxy-3-methylhexan-2-imine is [H]/N=C(\C)[C@H](C)CCCOC.
What is the InChIKey of (3R)-6-methoxy-3-methylhexan-2-imine?
The InChIKey is XHAFHKUMFQJUQP-BDGYDECCSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(8(2)9)5-4-6-10-3/h7,9H,4-6H2,1-3H3/b9-8+/t7-/m1/s1.
What are the key properties of (3R)-6-methoxy-3-methylhexan-2-imine?
(3R)-6-methoxy-3-methylhexan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methoxy-3-methylhexan-2-imine is sourced from PubChem (CID 130282879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).