(4S)-4-methoxyhexan-3-imine

C7H15NO — CID 174568026

IUPAC(4S)-4-methoxyhexan-3-imine
SMILES[H]/N=C(\CC)[C@H](CC)OC
InChIInChI=1S/C7H15NO/c1-4-6(8)7(5-2)9-3/h7-8H,4-5H2,1-3H3/b8-6+/t7-/m0/s1
InChIKeyWNODGMJRLGYDKF-DGUDBNDOSA-N
MW129.20 g/mol
LogP1.84
Rot. Bonds4

About (4S)-4-methoxyhexan-3-imine

(4S)-4-methoxyhexan-3-imine (PubChem CID 174568026) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4S)-4-methoxyhexan-3-imine.

Molecular Properties

Compound Name(4S)-4-methoxyhexan-3-imine
PubChem CID174568026
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4S)-4-methoxyhexan-3-imine
SMILES[H]/N=C(\CC)[C@H](CC)OC
InChIInChI=1S/C7H15NO/c1-4-6(8)7(5-2)9-3/h7-8H,4-5H2,1-3H3/b8-6+/t7-/m0/s1
InChIKeyWNODGMJRLGYDKF-DGUDBNDOSA-N
XLogP1.84
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxyhexan-3-imine?
The IUPAC name of (4S)-4-methoxyhexan-3-imine (CID 174568026) is (4S)-4-methoxyhexan-3-imine.
What is the SMILES notation for (4S)-4-methoxyhexan-3-imine?
The canonical SMILES for (4S)-4-methoxyhexan-3-imine is [H]/N=C(\CC)[C@H](CC)OC.
What is the InChIKey of (4S)-4-methoxyhexan-3-imine?
The InChIKey is WNODGMJRLGYDKF-DGUDBNDOSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(8)7(5-2)9-3/h7-8H,4-5H2,1-3H3/b8-6+/t7-/m0/s1.
What are the key properties of (4S)-4-methoxyhexan-3-imine?
(4S)-4-methoxyhexan-3-imine has a molecular weight of 129.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxyhexan-3-imine is sourced from PubChem (CID 174568026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).