4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine

C18H35N — CID 123422818

IUPAC4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCCCC(C)(CC)C1=CCN(C(C)(CC)CC)CC1
InChIInChI=1S/C18H35N/c1-7-13-17(5,8-2)16-11-14-19(15-12-16)18(6,9-3)10-4/h11H,7-10,12-15H2,1-6H3
InChIKeyNLELGVZQFYLUEL-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.41
Rot. Bonds7

About 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine

4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 123422818) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID123422818
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCCCC(C)(CC)C1=CCN(C(C)(CC)CC)CC1
InChIInChI=1S/C18H35N/c1-7-13-17(5,8-2)16-11-14-19(15-12-16)18(6,9-3)10-4/h11H,7-10,12-15H2,1-6H3
InChIKeyNLELGVZQFYLUEL-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine (CID 123422818) is 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine is CCCC(C)(CC)C1=CCN(C(C)(CC)CC)CC1.
What is the InChIKey of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is NLELGVZQFYLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-13-17(5,8-2)16-11-14-19(15-12-16)18(6,9-3)10-4/h11H,7-10,12-15H2,1-6H3.
What are the key properties of 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine?
4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 265.48 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-3-yl)-1-(3-methylpentan-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 123422818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).