(8R)-8-methoxynonan-3-imine

C10H21NO — CID 163430167

IUPAC(8R)-8-methoxynonan-3-imine
SMILES[H]/N=C(\CC)CCCC[C@@H](C)OC
InChIInChI=1S/C10H21NO/c1-4-10(11)8-6-5-7-9(2)12-3/h9,11H,4-8H2,1-3H3/b11-10+/t9-/m1/s1
InChIKeyAPUPHODMWNPQSU-HNLKAFMCSA-N
MW171.28 g/mol
LogP3.01
Rot. Bonds7

About (8R)-8-methoxynonan-3-imine

(8R)-8-methoxynonan-3-imine (PubChem CID 163430167) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (8R)-8-methoxynonan-3-imine.

Molecular Properties

Compound Name(8R)-8-methoxynonan-3-imine
PubChem CID163430167
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(8R)-8-methoxynonan-3-imine
SMILES[H]/N=C(\CC)CCCC[C@@H](C)OC
InChIInChI=1S/C10H21NO/c1-4-10(11)8-6-5-7-9(2)12-3/h9,11H,4-8H2,1-3H3/b11-10+/t9-/m1/s1
InChIKeyAPUPHODMWNPQSU-HNLKAFMCSA-N
XLogP3.01
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.01
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 (8R)-8-methoxynonan-3-imine?
The IUPAC name of (8R)-8-methoxynonan-3-imine (CID 163430167) is (8R)-8-methoxynonan-3-imine.
What is the SMILES notation for (8R)-8-methoxynonan-3-imine?
The canonical SMILES for (8R)-8-methoxynonan-3-imine is [H]/N=C(\CC)CCCC[C@@H](C)OC.
What is the InChIKey of (8R)-8-methoxynonan-3-imine?
The InChIKey is APUPHODMWNPQSU-HNLKAFMCSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(11)8-6-5-7-9(2)12-3/h9,11H,4-8H2,1-3H3/b11-10+/t9-/m1/s1.
What are the key properties of (8R)-8-methoxynonan-3-imine?
(8R)-8-methoxynonan-3-imine has a molecular weight of 171.28 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methoxynonan-3-imine is sourced from PubChem (CID 163430167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).