1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine

C18H27N — CID 146451701

IUPAC1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCC1C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27N/c1-2-3-4-6-10-18-13-9-14-19(16-18)15-17-11-7-5-8-12-17/h5,7-9,11-13,18H,2-4,6,10,14-16H2,1H3
InChIKeyXWDTWGZTUXSOSB-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.64
Rot. Bonds7

About 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine

1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine (PubChem CID 146451701) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine
PubChem CID146451701
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCC1C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27N/c1-2-3-4-6-10-18-13-9-14-19(16-18)15-17-11-7-5-8-12-17/h5,7-9,11-13,18H,2-4,6,10,14-16H2,1H3
InChIKeyXWDTWGZTUXSOSB-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 146535594
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1-benzyl-4-heptylpiperazine
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1-benzyl-3-decyl-2H-imidazole
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ethyl 1-benzyl-4-octylpyrrolidine-3-carboxylate
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CID 139091655
1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550
(3S,4S)-1-benzyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepin-3-ol
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(3R,4R)-1-benzyl-4-phenylmethoxy-2,3,4,7-tetrahydroazepin-3-ol
CID 50906529
1-benzyl-3-butylpiperazine
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1-benzyl-5-pentylimidazolidin-2-one
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CID 72524846

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine (CID 146451701) is 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine is CCCCCCC1C=CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine?
The InChIKey is XWDTWGZTUXSOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-3-4-6-10-18-13-9-14-19(16-18)15-17-11-7-5-8-12-17/h5,7-9,11-13,18H,2-4,6,10,14-16H2,1H3.
What are the key properties of 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine?
1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine has a molecular weight of 257.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hexyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146451701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).