4-tert-butyl-3-methylidenemorpholine

C9H17NO — CID 89103067

IUPAC4-tert-butyl-3-methylidenemorpholine
SMILESC=C1COCCN1C(C)(C)C
InChIInChI=1S/C9H17NO/c1-8-7-11-6-5-10(8)9(2,3)4/h1,5-7H2,2-4H3
InChIKeyGGNHLWADMXNVIR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds

About 4-tert-butyl-3-methylidenemorpholine

4-tert-butyl-3-methylidenemorpholine (PubChem CID 89103067) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-tert-butyl-3-methylidenemorpholine.

Molecular Properties

Compound Name4-tert-butyl-3-methylidenemorpholine
PubChem CID89103067
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-tert-butyl-3-methylidenemorpholine
SMILESC=C1COCCN1C(C)(C)C
InChIInChI=1S/C9H17NO/c1-8-7-11-6-5-10(8)9(2,3)4/h1,5-7H2,2-4H3
InChIKeyGGNHLWADMXNVIR-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59347263
CID 59374027
CID 59374027
CID 68267222
CID 68267222
CID 89017332
CID 89017332
CID 89707992
CID 89707992
CID 90968281
CID 90968281
CID 91196087
CID 91196087
CID 91327218
CID 91327218
CID 91585735
CID 91585735
CID 123581780
CID 123581780

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methylidenemorpholine?
The IUPAC name of 4-tert-butyl-3-methylidenemorpholine (CID 89103067) is 4-tert-butyl-3-methylidenemorpholine.
What is the SMILES notation for 4-tert-butyl-3-methylidenemorpholine?
The canonical SMILES for 4-tert-butyl-3-methylidenemorpholine is C=C1COCCN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methylidenemorpholine?
The InChIKey is GGNHLWADMXNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-7-11-6-5-10(8)9(2,3)4/h1,5-7H2,2-4H3.
What are the key properties of 4-tert-butyl-3-methylidenemorpholine?
4-tert-butyl-3-methylidenemorpholine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methylidenemorpholine is sourced from PubChem (CID 89103067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).