(3R)-3-methoxypentan-2-imine

C6H13NO — CID 174531499

IUPAC(3R)-3-methoxypentan-2-imine
SMILES[H]/N=C(\C)[C@@H](CC)OC
InChIInChI=1S/C6H13NO/c1-4-6(8-3)5(2)7/h6-7H,4H2,1-3H3/b7-5+/t6-/m1/s1
InChIKeyAZJHYWGCIGYTSC-LUFONEFESA-N
MW115.18 g/mol
LogP1.45
Rot. Bonds3

About (3R)-3-methoxypentan-2-imine

(3R)-3-methoxypentan-2-imine (PubChem CID 174531499) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3R)-3-methoxypentan-2-imine.

Molecular Properties

Compound Name(3R)-3-methoxypentan-2-imine
PubChem CID174531499
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3R)-3-methoxypentan-2-imine
SMILES[H]/N=C(\C)[C@@H](CC)OC
InChIInChI=1S/C6H13NO/c1-4-6(8-3)5(2)7/h6-7H,4H2,1-3H3/b7-5+/t6-/m1/s1
InChIKeyAZJHYWGCIGYTSC-LUFONEFESA-N
XLogP1.45
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.45
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 (3R)-3-methoxypentan-2-imine?
The IUPAC name of (3R)-3-methoxypentan-2-imine (CID 174531499) is (3R)-3-methoxypentan-2-imine.
What is the SMILES notation for (3R)-3-methoxypentan-2-imine?
The canonical SMILES for (3R)-3-methoxypentan-2-imine is [H]/N=C(\C)[C@@H](CC)OC.
What is the InChIKey of (3R)-3-methoxypentan-2-imine?
The InChIKey is AZJHYWGCIGYTSC-LUFONEFESA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(8-3)5(2)7/h6-7H,4H2,1-3H3/b7-5+/t6-/m1/s1.
What are the key properties of (3R)-3-methoxypentan-2-imine?
(3R)-3-methoxypentan-2-imine has a molecular weight of 115.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxypentan-2-imine is sourced from PubChem (CID 174531499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).