4-(4-methyl-3-methylidenehexyl)morpholine

C12H23NO — CID 18721536

IUPAC4-(4-methyl-3-methylidenehexyl)morpholine
SMILESC=C(CCN1CCOCC1)C(C)CC
InChIInChI=1S/C12H23NO/c1-4-11(2)12(3)5-6-13-7-9-14-10-8-13/h11H,3-10H2,1-2H3
InChIKeyVBMKYOJSGBFFAI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds5

About 4-(4-methyl-3-methylidenehexyl)morpholine

4-(4-methyl-3-methylidenehexyl)morpholine (PubChem CID 18721536) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(4-methyl-3-methylidenehexyl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-3-methylidenehexyl)morpholine
PubChem CID18721536
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(4-methyl-3-methylidenehexyl)morpholine
SMILESC=C(CCN1CCOCC1)C(C)CC
InChIInChI=1S/C12H23NO/c1-4-11(2)12(3)5-6-13-7-9-14-10-8-13/h11H,3-10H2,1-2H3
InChIKeyVBMKYOJSGBFFAI-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-methylidenehexyl)morpholine?
The IUPAC name of 4-(4-methyl-3-methylidenehexyl)morpholine (CID 18721536) is 4-(4-methyl-3-methylidenehexyl)morpholine.
What is the SMILES notation for 4-(4-methyl-3-methylidenehexyl)morpholine?
The canonical SMILES for 4-(4-methyl-3-methylidenehexyl)morpholine is C=C(CCN1CCOCC1)C(C)CC.
What is the InChIKey of 4-(4-methyl-3-methylidenehexyl)morpholine?
The InChIKey is VBMKYOJSGBFFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11(2)12(3)5-6-13-7-9-14-10-8-13/h11H,3-10H2,1-2H3.
What are the key properties of 4-(4-methyl-3-methylidenehexyl)morpholine?
4-(4-methyl-3-methylidenehexyl)morpholine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-methylidenehexyl)morpholine is sourced from PubChem (CID 18721536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).