N-methoxy-3,3-dimethylpentan-2-imine

C8H17NO — CID 87220298

IUPACN-methoxy-3,3-dimethylpentan-2-imine
SMILESCCC(C)(C)C(C)=NOC
InChIInChI=1S/C8H17NO/c1-6-8(3,4)7(2)9-10-5/h6H2,1-5H3
InChIKeyPLGLIMJYTJEVCD-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds3

About N-methoxy-3,3-dimethylpentan-2-imine

N-methoxy-3,3-dimethylpentan-2-imine (PubChem CID 87220298) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methoxy-3,3-dimethylpentan-2-imine.

Molecular Properties

Compound NameN-methoxy-3,3-dimethylpentan-2-imine
PubChem CID87220298
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methoxy-3,3-dimethylpentan-2-imine
SMILESCCC(C)(C)C(C)=NOC
InChIInChI=1S/C8H17NO/c1-6-8(3,4)7(2)9-10-5/h6H2,1-5H3
InChIKeyPLGLIMJYTJEVCD-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3,3-dimethylpentan-2-imine?
The IUPAC name of N-methoxy-3,3-dimethylpentan-2-imine (CID 87220298) is N-methoxy-3,3-dimethylpentan-2-imine.
What is the SMILES notation for N-methoxy-3,3-dimethylpentan-2-imine?
The canonical SMILES for N-methoxy-3,3-dimethylpentan-2-imine is CCC(C)(C)C(C)=NOC.
What is the InChIKey of N-methoxy-3,3-dimethylpentan-2-imine?
The InChIKey is PLGLIMJYTJEVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-8(3,4)7(2)9-10-5/h6H2,1-5H3.
What are the key properties of N-methoxy-3,3-dimethylpentan-2-imine?
N-methoxy-3,3-dimethylpentan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3,3-dimethylpentan-2-imine is sourced from PubChem (CID 87220298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).