4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine

C15H31NO3 — CID 116765269

IUPAC4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO3/c1-5-9-16-14(13(2)6-10-17-3)15(18-4)7-11-19-12-8-15/h13-14,16H,5-12H2,1-4H3
InChIKeyCLZDHMLEUSWOPR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.22
Rot. Bonds9

About 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine

4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 116765269) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID116765269
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO3/c1-5-9-16-14(13(2)6-10-17-3)15(18-4)7-11-19-12-8-15/h13-14,16H,5-12H2,1-4H3
InChIKeyCLZDHMLEUSWOPR-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine 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-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine (CID 116765269) is 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(C(C)CCOC)C1(OC)CCOCC1.
What is the InChIKey of 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is CLZDHMLEUSWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-5-9-16-14(13(2)6-10-17-3)15(18-4)7-11-19-12-8-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine?
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).