1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine

C15H22N2 — CID 91592263

IUPAC1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine
SMILESCN1C=CC(CCCC2=CCN(C)C=C2)=CC1
InChIInChI=1S/C15H22N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15/h6-10,12H,3-5,11,13H2,1-2H3
InChIKeyIUDTVQGDXMHGNZ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.93
Rot. Bonds4

About 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine

1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine (PubChem CID 91592263) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine
PubChem CID91592263
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine
SMILESCN1C=CC(CCCC2=CCN(C)C=C2)=CC1
InChIInChI=1S/C15H22N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15/h6-10,12H,3-5,11,13H2,1-2H3
InChIKeyIUDTVQGDXMHGNZ-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine?
The IUPAC name of 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine (CID 91592263) is 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine.
What is the SMILES notation for 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine?
The canonical SMILES for 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine is CN1C=CC(CCCC2=CCN(C)C=C2)=CC1.
What is the InChIKey of 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine?
The InChIKey is IUDTVQGDXMHGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15/h6-10,12H,3-5,11,13H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine?
1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine has a molecular weight of 230.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methyl-2H-pyridin-4-yl)propyl]-2H-pyridine is sourced from PubChem (CID 91592263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).