3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline

C17H26N2O — CID 102649170

IUPAC3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(C1=CCCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C17H26N2O/c1-4-11-18-17(16-10-5-6-12-20-16)14-8-7-9-15(13-14)19(2)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3
InChIKeyRIMRUOXGIOAEON-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.49
Rot. Bonds6

About 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline

3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline (PubChem CID 102649170) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline
PubChem CID102649170
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline
SMILESCCCNC(C1=CCCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C17H26N2O/c1-4-11-18-17(16-10-5-6-12-20-16)14-8-7-9-15(13-14)19(2)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3
InChIKeyRIMRUOXGIOAEON-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline (CID 102649170) is 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline is CCCNC(C1=CCCCO1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline?
The InChIKey is RIMRUOXGIOAEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-11-18-17(16-10-5-6-12-20-16)14-8-7-9-15(13-14)19(2)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline?
3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline has a molecular weight of 274.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-pyran-6-yl(propylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 102649170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).