4-(3,3-dimethylbut-1-en-2-yl)morpholine

C10H19NO — CID 11019277

IUPAC4-(3,3-dimethylbut-1-en-2-yl)morpholine
SMILESC=C(N1CCOCC1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-9(10(2,3)4)11-5-7-12-8-6-11/h1,5-8H2,2-4H3
InChIKeyFPSHNNQHYYUALR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.88
Rot. Bonds1

About 4-(3,3-dimethylbut-1-en-2-yl)morpholine

4-(3,3-dimethylbut-1-en-2-yl)morpholine (PubChem CID 11019277) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(3,3-dimethylbut-1-en-2-yl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethylbut-1-en-2-yl)morpholine
PubChem CID11019277
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(3,3-dimethylbut-1-en-2-yl)morpholine
SMILESC=C(N1CCOCC1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-9(10(2,3)4)11-5-7-12-8-6-11/h1,5-8H2,2-4H3
InChIKeyFPSHNNQHYYUALR-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbut-1-en-2-yl)morpholine?
The IUPAC name of 4-(3,3-dimethylbut-1-en-2-yl)morpholine (CID 11019277) is 4-(3,3-dimethylbut-1-en-2-yl)morpholine.
What is the SMILES notation for 4-(3,3-dimethylbut-1-en-2-yl)morpholine?
The canonical SMILES for 4-(3,3-dimethylbut-1-en-2-yl)morpholine is C=C(N1CCOCC1)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbut-1-en-2-yl)morpholine?
The InChIKey is FPSHNNQHYYUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(10(2,3)4)11-5-7-12-8-6-11/h1,5-8H2,2-4H3.
What are the key properties of 4-(3,3-dimethylbut-1-en-2-yl)morpholine?
4-(3,3-dimethylbut-1-en-2-yl)morpholine has a molecular weight of 169.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbut-1-en-2-yl)morpholine is sourced from PubChem (CID 11019277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).