2-(4-benzylheptan-4-yl)pyridine

C19H25N — CID 122207930

IUPAC2-(4-benzylheptan-4-yl)pyridine
SMILESCCCC(CCC)(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H25N/c1-3-13-19(14-4-2,18-12-8-9-15-20-18)16-17-10-6-5-7-11-17/h5-12,15H,3-4,13-14,16H2,1-2H3
InChIKeyLZRZWYFCNZDMNU-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.16
Rot. Bonds7

About 2-(4-benzylheptan-4-yl)pyridine

2-(4-benzylheptan-4-yl)pyridine (PubChem CID 122207930) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(4-benzylheptan-4-yl)pyridine.

Molecular Properties

Compound Name2-(4-benzylheptan-4-yl)pyridine
PubChem CID122207930
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-(4-benzylheptan-4-yl)pyridine
SMILESCCCC(CCC)(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C19H25N/c1-3-13-19(14-4-2,18-12-8-9-15-20-18)16-17-10-6-5-7-11-17/h5-12,15H,3-4,13-14,16H2,1-2H3
InChIKeyLZRZWYFCNZDMNU-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(3-methylhex-1-en-3-yl)pyridine
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1-phenylpentane-2,2-diol
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2,2-dimethylpentylbenzene
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ethylbenzene;pyridin-2-amine
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2-(1,1-difluoropropyl)pyridine
CID 59088790
3-benzyl-1-[2,6-di(propan-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)anilino]pentan-3-ol
CID 87967947
6-pyridin-2-ylundecan-6-ol
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2-(3-benzylhexan-3-yl)-N-methylaniline
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1-pyridin-2-ylpropane-1,1-diol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylheptan-4-yl)pyridine?
The IUPAC name of 2-(4-benzylheptan-4-yl)pyridine (CID 122207930) is 2-(4-benzylheptan-4-yl)pyridine.
What is the SMILES notation for 2-(4-benzylheptan-4-yl)pyridine?
The canonical SMILES for 2-(4-benzylheptan-4-yl)pyridine is CCCC(CCC)(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 2-(4-benzylheptan-4-yl)pyridine?
The InChIKey is LZRZWYFCNZDMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-13-19(14-4-2,18-12-8-9-15-20-18)16-17-10-6-5-7-11-17/h5-12,15H,3-4,13-14,16H2,1-2H3.
What are the key properties of 2-(4-benzylheptan-4-yl)pyridine?
2-(4-benzylheptan-4-yl)pyridine has a molecular weight of 267.42 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylheptan-4-yl)pyridine is sourced from PubChem (CID 122207930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).