4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline

C18H30N2O — CID 59746476

IUPAC4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN2CCOCC2)C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)17(14-20-10-12-21-13-11-20)15-6-8-16(9-7-15)19(4)5/h6-9,17H,10-14H2,1-5H3
InChIKeyZCSZXHNZXLCTBV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.21
Rot. Bonds4

About 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline

4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline (PubChem CID 59746476) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline
PubChem CID59746476
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN2CCOCC2)C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,3)17(14-20-10-12-21-13-11-20)15-6-8-16(9-7-15)19(4)5/h6-9,17H,10-14H2,1-5H3
InChIKeyZCSZXHNZXLCTBV-UHFFFAOYSA-N
XLogP3.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline 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-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline (CID 59746476) is 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C(CN2CCOCC2)C(C)(C)C)cc1.
What is the InChIKey of 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline?
The InChIKey is ZCSZXHNZXLCTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)17(14-20-10-12-21-13-11-20)15-6-8-16(9-7-15)19(4)5/h6-9,17H,10-14H2,1-5H3.
What are the key properties of 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline?
4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline has a molecular weight of 290.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-1-morpholin-4-ylbutan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 59746476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).