1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine

C19H30N2 — CID 54175465

IUPAC1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine
SMILESCC1=CN(CCCCCN2C=C(C)C=C(C)C2)CC(C)=C1
InChIInChI=1S/C19H30N2/c1-16-10-17(2)13-20(12-16)8-6-5-7-9-21-14-18(3)11-19(4)15-21/h10-12,14H,5-9,13,15H2,1-4H3
InChIKeyOXZZAJUZTOBHMV-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.49
Rot. Bonds6

About 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine

1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine (PubChem CID 54175465) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine
PubChem CID54175465
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine
SMILESCC1=CN(CCCCCN2C=C(C)C=C(C)C2)CC(C)=C1
InChIInChI=1S/C19H30N2/c1-16-10-17(2)13-20(12-16)8-6-5-7-9-21-14-18(3)11-19(4)15-21/h10-12,14H,5-9,13,15H2,1-4H3
InChIKeyOXZZAJUZTOBHMV-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine?
The IUPAC name of 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine (CID 54175465) is 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine.
What is the SMILES notation for 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine?
The canonical SMILES for 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine is CC1=CN(CCCCCN2C=C(C)C=C(C)C2)CC(C)=C1.
What is the InChIKey of 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine?
The InChIKey is OXZZAJUZTOBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-10-17(2)13-20(12-16)8-6-5-7-9-21-14-18(3)11-19(4)15-21/h10-12,14H,5-9,13,15H2,1-4H3.
What are the key properties of 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine?
1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine has a molecular weight of 286.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethyl-2H-pyridin-1-yl)pentyl]-3,5-dimethyl-2H-pyridine is sourced from PubChem (CID 54175465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).