4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine

C17H22N2O — CID 142525785

IUPAC4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine
SMILESCN(C)C.c1cc2c(c(-c3ccncc3)c1)CCOC2
InChIInChI=1S/C14H13NO.C3H9N/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11;1-4(2)3/h1-5,7-8H,6,9-10H2;1-3H3
InChIKeyINEJKCZTVDNSQH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.00
Rot. Bonds1

About 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine

4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine (PubChem CID 142525785) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine
PubChem CID142525785
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine
SMILESCN(C)C.c1cc2c(c(-c3ccncc3)c1)CCOC2
InChIInChI=1S/C14H13NO.C3H9N/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11;1-4(2)3/h1-5,7-8H,6,9-10H2;1-3H3
InChIKeyINEJKCZTVDNSQH-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine?
The IUPAC name of 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine (CID 142525785) is 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine?
The canonical SMILES for 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine is CN(C)C.c1cc2c(c(-c3ccncc3)c1)CCOC2.
What is the InChIKey of 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine?
The InChIKey is INEJKCZTVDNSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C3H9N/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11;1-4(2)3/h1-5,7-8H,6,9-10H2;1-3H3.
What are the key properties of 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine?
4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isochromen-5-yl)pyridine;N,N-dimethylmethanamine is sourced from PubChem (CID 142525785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).