4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride

C17H22ClN — CID 117067741

IUPAC4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride
SMILESCC(C)(CCCc1ccccc1)c1ccncc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-17(2,16-10-13-18-14-11-16)12-6-9-15-7-4-3-5-8-15;/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3;1H
InChIKeyQZOACDTWDOOYEZ-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.80
Rot. Bonds5

About 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride

4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride (PubChem CID 117067741) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride
PubChem CID117067741
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride
SMILESCC(C)(CCCc1ccccc1)c1ccncc1.Cl
InChIInChI=1S/C17H21N.ClH/c1-17(2,16-10-13-18-14-11-16)12-6-9-15-7-4-3-5-8-15;/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3;1H
InChIKeyQZOACDTWDOOYEZ-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
CID 24746170
CID 24746170
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
(5-chloro-4,4-dimethylpentyl)benzene
CID 66059754
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
27,27-dimethyloctacosylbenzene
CID 140589361
dodecylbenzene;pyridine
CID 174718010
4-phenylbutylbenzene
CID 141301927
2-methyl-6-phenylhexan-2-ol
CID 12716611
1,3-ditert-butyl-5-(3-phenylpropyl)benzene
CID 101326636

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride?
The IUPAC name of 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride (CID 117067741) is 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride.
What is the SMILES notation for 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride?
The canonical SMILES for 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride is CC(C)(CCCc1ccccc1)c1ccncc1.Cl.
What is the InChIKey of 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride?
The InChIKey is QZOACDTWDOOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-17(2,16-10-13-18-14-11-16)12-6-9-15-7-4-3-5-8-15;/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3;1H.
What are the key properties of 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride?
4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 117067741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).