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

C12H20N2O — CID 20690182

IUPAC1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
SMILESC=C1C=C(CN(C)C)C=C(CN(C)C)O1
InChIInChI=1S/C12H20N2O/c1-10-6-11(8-13(2)3)7-12(15-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3
InChIKeyHUXUPRXIZWNLFI-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.46
Rot. Bonds4

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

1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine (PubChem CID 20690182) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
PubChem CID20690182
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine
SMILESC=C1C=C(CN(C)C)C=C(CN(C)C)O1
InChIInChI=1S/C12H20N2O/c1-10-6-11(8-13(2)3)7-12(15-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3
InChIKeyHUXUPRXIZWNLFI-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-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
CID 20690184
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
N,N-diethyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 143935689
N,N-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethanamine
CID 144107502
ethane;7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
CID 144696064
7-ethenyl-4-methyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-1,4-oxazepine
CID 144696065
6-[(1Z)-buta-1,3-dienyl]-7-ethenyl-4-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 169926227
N,N-dimethyl-2-[(4Z)-2,6,7-trimethylocta-2,4,6-trien-3-yl]oxyethanamine
CID 169980457
1-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylmethanamine;palladium
CID 175116359
(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 101202697
4-[(Z,2E)-3-ethoxy-2-ethylidenepent-3-enyl]morpholine
CID 101202699

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine (CID 20690182) is 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine is C=C1C=C(CN(C)C)C=C(CN(C)C)O1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine?
The InChIKey is HUXUPRXIZWNLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-6-11(8-13(2)3)7-12(15-10)9-14(4)5/h6-7H,1,8-9H2,2-5H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine?
1-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-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-[2-[(dimethylamino)methyl]-6-methylidenepyran-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 20690182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).