N-ethoxy-4-methylpentan-2-imine

C8H17NO — CID 58970605

IUPACN-ethoxy-4-methylpentan-2-imine
SMILESCCON=C(C)CC(C)C
InChIInChI=1S/C8H17NO/c1-5-10-9-8(4)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyVYFXGUWUYXCKNP-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds4

About N-ethoxy-4-methylpentan-2-imine

N-ethoxy-4-methylpentan-2-imine (PubChem CID 58970605) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethoxy-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-ethoxy-4-methylpentan-2-imine
PubChem CID58970605
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-ethoxy-4-methylpentan-2-imine
SMILESCCON=C(C)CC(C)C
InChIInChI=1S/C8H17NO/c1-5-10-9-8(4)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyVYFXGUWUYXCKNP-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-ethenoxy-2,4-dimethylpentan-3-imine
CID 15496258
Ethoxyimino-4-methylcyclohexan
CID 57973907
2-Pentanone, O-propyloxime
CID 9601808
N-methoxy-2,4-dimethylpentan-3-imine
CID 536466
(E)-N-methoxy-2-methylheptan-3-imine
CID 135084148
(E)-N-methoxy-6-methylheptan-2-imine
CID 5368067
2-Heptanone, 6-methyl-, O-methyloxime
CID 9602201
(E)-N-methoxy-4-methylpentan-2-imine
CID 13787805
(E)-N-methoxy-5-methylheptan-3-imine
CID 17887277
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
(E)-N-hexoxy-3-methylbutan-2-imine
CID 21300316
(E)-N-ethoxy-3-methylbutan-2-imine
CID 21336352

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methylpentan-2-imine?
The IUPAC name of N-ethoxy-4-methylpentan-2-imine (CID 58970605) is N-ethoxy-4-methylpentan-2-imine.
What is the SMILES notation for N-ethoxy-4-methylpentan-2-imine?
The canonical SMILES for N-ethoxy-4-methylpentan-2-imine is CCON=C(C)CC(C)C.
What is the InChIKey of N-ethoxy-4-methylpentan-2-imine?
The InChIKey is VYFXGUWUYXCKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-10-9-8(4)6-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of N-ethoxy-4-methylpentan-2-imine?
N-ethoxy-4-methylpentan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methylpentan-2-imine is sourced from PubChem (CID 58970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).