(5S)-5-methoxyhexan-2-imine

C7H15NO — CID 163644460

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

About (5S)-5-methoxyhexan-2-imine

(5S)-5-methoxyhexan-2-imine (PubChem CID 163644460) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (5S)-5-methoxyhexan-2-imine.

Molecular Properties

Compound Name(5S)-5-methoxyhexan-2-imine
PubChem CID163644460
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(5S)-5-methoxyhexan-2-imine
SMILES[H]/N=C(\C)CC[C@H](C)OC
InChIInChI=1S/C7H15NO/c1-6(8)4-5-7(2)9-3/h7-8H,4-5H2,1-3H3/b8-6+/t7-/m0/s1
InChIKeyIHAWBLROCCJOIF-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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Related Compounds

1-Methoxypentan-3-imine;tris(yttrium)
CID 58069452
1-(Oxiran-2-yl)butan-1-imine
CID 88487276
4-Methoxycyclohexane-1,2-diimine
CID 90965637
2-Methoxypentan-3-imine
CID 123395422
5-Iminohexan-2-ol
CID 123573837
2-Ethoxypentan-3-imine
CID 123646802
1-(Oxiran-2-yl)propan-1-imine
CID 123940754
(5R)-5-methoxyoctan-2-imine
CID 129313720
1-Methoxypentane-2,4-diimine
CID 138709464
(3S)-3-methoxypentan-2-imine
CID 141961400
4-Iminohexan-2-ol
CID 142041355
4-Methoxycyclohexan-1-imine
CID 147478902

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxyhexan-2-imine?
The IUPAC name of (5S)-5-methoxyhexan-2-imine (CID 163644460) is (5S)-5-methoxyhexan-2-imine.
What is the SMILES notation for (5S)-5-methoxyhexan-2-imine?
The canonical SMILES for (5S)-5-methoxyhexan-2-imine is [H]/N=C(\C)CC[C@H](C)OC.
What is the InChIKey of (5S)-5-methoxyhexan-2-imine?
The InChIKey is IHAWBLROCCJOIF-DGUDBNDOSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(8)4-5-7(2)9-3/h7-8H,4-5H2,1-3H3/b8-6+/t7-/m0/s1.
What are the key properties of (5S)-5-methoxyhexan-2-imine?
(5S)-5-methoxyhexan-2-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 (5S)-5-methoxyhexan-2-imine is sourced from PubChem (CID 163644460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).