4-(3,3-dimethyl-2-methylidenepentyl)morpholine

C12H23NO — CID 58473823

IUPAC4-(3,3-dimethyl-2-methylidenepentyl)morpholine
SMILESC=C(CN1CCOCC1)C(C)(C)CC
InChIInChI=1S/C12H23NO/c1-5-12(3,4)11(2)10-13-6-8-14-9-7-13/h2,5-10H2,1,3-4H3
InChIKeySDDXVKZQNUOZNT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds4

About 4-(3,3-dimethyl-2-methylidenepentyl)morpholine

4-(3,3-dimethyl-2-methylidenepentyl)morpholine (PubChem CID 58473823) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-methylidenepentyl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-methylidenepentyl)morpholine
PubChem CID58473823
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(3,3-dimethyl-2-methylidenepentyl)morpholine
SMILESC=C(CN1CCOCC1)C(C)(C)CC
InChIInChI=1S/C12H23NO/c1-5-12(3,4)11(2)10-13-6-8-14-9-7-13/h2,5-10H2,1,3-4H3
InChIKeySDDXVKZQNUOZNT-UHFFFAOYSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 4-(3,3-dimethyl-2-methylidenepentyl)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 4-(3,3-dimethyl-2-methylidenepentyl)morpholine?
The IUPAC name of 4-(3,3-dimethyl-2-methylidenepentyl)morpholine (CID 58473823) is 4-(3,3-dimethyl-2-methylidenepentyl)morpholine.
What is the SMILES notation for 4-(3,3-dimethyl-2-methylidenepentyl)morpholine?
The canonical SMILES for 4-(3,3-dimethyl-2-methylidenepentyl)morpholine is C=C(CN1CCOCC1)C(C)(C)CC.
What is the InChIKey of 4-(3,3-dimethyl-2-methylidenepentyl)morpholine?
The InChIKey is SDDXVKZQNUOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-12(3,4)11(2)10-13-6-8-14-9-7-13/h2,5-10H2,1,3-4H3.
What are the key properties of 4-(3,3-dimethyl-2-methylidenepentyl)morpholine?
4-(3,3-dimethyl-2-methylidenepentyl)morpholine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-methylidenepentyl)morpholine is sourced from PubChem (CID 58473823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).