1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine

C12H20N2O — CID 20690184

IUPAC1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
SMILESC=C1C=C(CN(C)C)OC(CN(C)C)=C1
InChIInChI=1S/C12H20N2O/c1-10-6-11(8-13(2)3)15-12(7-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3
InChIKeyOGRQFORBMUZOHS-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.46
Rot. Bonds4

About 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine

1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine (PubChem CID 20690184) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
PubChem CID20690184
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
SMILESC=C1C=C(CN(C)C)OC(CN(C)C)=C1
InChIInChI=1S/C12H20N2O/c1-10-6-11(8-13(2)3)15-12(7-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3
InChIKeyOGRQFORBMUZOHS-UHFFFAOYSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
CID 20690182
3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
CID 54065066
5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
CID 67602404
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
CID 68757725
1-methyl-5-pent-1-enyl-3-propan-2-yloxy-2H-pyridine
CID 91248384
1-[(2E,4Z)-2-methoxy-4,6-dimethylhepta-2,4-dienyl]-4-methylpiperazine
CID 134534587
5-ethenyl-3-methoxy-1-methyl-2H-pyridine
CID 145510329

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine (CID 20690184) is 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine is C=C1C=C(CN(C)C)OC(CN(C)C)=C1.
What is the InChIKey of 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine?
The InChIKey is OGRQFORBMUZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-6-11(8-13(2)3)15-12(7-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3.
What are the key properties of 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine?
1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine has a molecular weight of 208.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 20690184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).