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

C15H22N2O — CID 102649383

IUPAC3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(C1=CCCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O/c1-16-15(14-9-4-5-10-18-14)12-7-6-8-13(11-12)17(2)3/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyRQAIMHFMLRWJJM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.71
Rot. Bonds4

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

3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline (PubChem CID 102649383) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline
PubChem CID102649383
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline
SMILESCNC(C1=CCCCO1)c1cccc(N(C)C)c1
InChIInChI=1S/C15H22N2O/c1-16-15(14-9-4-5-10-18-14)12-7-6-8-13(11-12)17(2)3/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyRQAIMHFMLRWJJM-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.71
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(methylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline (CID 102649383) is 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline is CNC(C1=CCCCO1)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline?
The InChIKey is RQAIMHFMLRWJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-15(14-9-4-5-10-18-14)12-7-6-8-13(11-12)17(2)3/h6-9,11,15-16H,4-5,10H2,1-3H3.
What are the key properties of 3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline?
3-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylaniline has a molecular weight of 246.35 g/mol, XLogP of 2.71, 4 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(methylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 102649383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).