1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

C15H29NO2 — CID 102648101

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)(CC)OCC
InChIInChI=1S/C15H29NO2/c1-5-11-16-14(13-10-8-9-12-17-13)15(4,6-2)18-7-3/h10,14,16H,5-9,11-12H2,1-4H3
InChIKeyCTUQKPGLUPUTMC-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.25
Rot. Bonds8

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 102648101) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
PubChem CID102648101
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCO1)C(C)(CC)OCC
InChIInChI=1S/C15H29NO2/c1-5-11-16-14(13-10-8-9-12-17-13)15(4,6-2)18-7-3/h10,14,16H,5-9,11-12H2,1-4H3
InChIKeyCTUQKPGLUPUTMC-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-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 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (CID 102648101) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C1=CCCCO1)C(C)(CC)OCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is CTUQKPGLUPUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-11-16-14(13-10-8-9-12-17-13)15(4,6-2)18-7-3/h10,14,16H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 102648101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).