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

C10H19NO — CID 58274623

IUPAC2-(3,3-dimethylbut-1-en-2-yl)morpholine
SMILESC=C(C1CNCCO1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(10(2,3)4)9-7-11-5-6-12-9/h9,11H,1,5-7H2,2-4H3
InChIKeyOMPLKZNWLCEIJY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds1

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

2-(3,3-dimethylbut-1-en-2-yl)morpholine (PubChem CID 58274623) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3,3-dimethylbut-1-en-2-yl)morpholine.

Molecular Properties

Compound Name2-(3,3-dimethylbut-1-en-2-yl)morpholine
PubChem CID58274623
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(3,3-dimethylbut-1-en-2-yl)morpholine
SMILESC=C(C1CNCCO1)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(10(2,3)4)9-7-11-5-6-12-9/h9,11H,1,5-7H2,2-4H3
InChIKeyOMPLKZNWLCEIJY-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethylbut-1-en-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbut-1-en-2-yl)morpholine?
The IUPAC name of 2-(3,3-dimethylbut-1-en-2-yl)morpholine (CID 58274623) is 2-(3,3-dimethylbut-1-en-2-yl)morpholine.
What is the SMILES notation for 2-(3,3-dimethylbut-1-en-2-yl)morpholine?
The canonical SMILES for 2-(3,3-dimethylbut-1-en-2-yl)morpholine is C=C(C1CNCCO1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbut-1-en-2-yl)morpholine?
The InChIKey is OMPLKZNWLCEIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(10(2,3)4)9-7-11-5-6-12-9/h9,11H,1,5-7H2,2-4H3.
What are the key properties of 2-(3,3-dimethylbut-1-en-2-yl)morpholine?
2-(3,3-dimethylbut-1-en-2-yl)morpholine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbut-1-en-2-yl)morpholine is sourced from PubChem (CID 58274623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).