1-methoxyoctan-2-imine

C9H19NO — CID 87831006

IUPAC1-methoxyoctan-2-imine
SMILES[H]/N=C(/CCCCCC)COC
InChIInChI=1S/C9H19NO/c1-3-4-5-6-7-9(10)8-11-2/h10H,3-8H2,1-2H3/b10-9-
InChIKeyBKSFPQGEESGMIF-KTKRTIGZSA-N
MW157.26 g/mol
LogP2.62
Rot. Bonds7

About 1-methoxyoctan-2-imine

1-methoxyoctan-2-imine (PubChem CID 87831006) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methoxyoctan-2-imine.

Molecular Properties

Compound Name1-methoxyoctan-2-imine
PubChem CID87831006
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-methoxyoctan-2-imine
SMILES[H]/N=C(/CCCCCC)COC
InChIInChI=1S/C9H19NO/c1-3-4-5-6-7-9(10)8-11-2/h10H,3-8H2,1-2H3/b10-9-
InChIKeyBKSFPQGEESGMIF-KTKRTIGZSA-N
XLogP2.62
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.62
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 1-methoxyoctan-2-imine?
The IUPAC name of 1-methoxyoctan-2-imine (CID 87831006) is 1-methoxyoctan-2-imine.
What is the SMILES notation for 1-methoxyoctan-2-imine?
The canonical SMILES for 1-methoxyoctan-2-imine is [H]/N=C(/CCCCCC)COC.
What is the InChIKey of 1-methoxyoctan-2-imine?
The InChIKey is BKSFPQGEESGMIF-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-6-7-9(10)8-11-2/h10H,3-8H2,1-2H3/b10-9-.
What are the key properties of 1-methoxyoctan-2-imine?
1-methoxyoctan-2-imine has a molecular weight of 157.26 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyoctan-2-imine is sourced from PubChem (CID 87831006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).