2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine

C22H32N2 — CID 135215939

IUPAC2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
SMILESCC(C)c1cc(C(C)CCC(C)c2ccnc(C(C)C)c2)ccn1
InChIInChI=1S/C22H32N2/c1-15(2)21-13-19(9-11-23-21)17(5)7-8-18(6)20-10-12-24-22(14-20)16(3)4/h9-18H,7-8H2,1-6H3
InChIKeyHTWKTSDZIKDILS-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.41
Rot. Bonds7

About 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine

2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine (PubChem CID 135215939) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
PubChem CID135215939
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
SMILESCC(C)c1cc(C(C)CCC(C)c2ccnc(C(C)C)c2)ccn1
InChIInChI=1S/C22H32N2/c1-15(2)21-13-19(9-11-23-21)17(5)7-8-18(6)20-10-12-24-22(14-20)16(3)4/h9-18H,7-8H2,1-6H3
InChIKeyHTWKTSDZIKDILS-UHFFFAOYSA-N
XLogP6.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15938
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CID 5282443
Brompheniramine
CID 6834
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761
Prothionamide
CID 666418
(+-)-Anabasine
CID 2181

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine?
The IUPAC name of 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine (CID 135215939) is 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine.
What is the SMILES notation for 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine?
The canonical SMILES for 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine is CC(C)c1cc(C(C)CCC(C)c2ccnc(C(C)C)c2)ccn1.
What is the InChIKey of 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine?
The InChIKey is HTWKTSDZIKDILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-15(2)21-13-19(9-11-23-21)17(5)7-8-18(6)20-10-12-24-22(14-20)16(3)4/h9-18H,7-8H2,1-6H3.
What are the key properties of 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine?
2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine has a molecular weight of 324.51 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine is sourced from PubChem (CID 135215939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).