2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine

C26H42N2 — CID 158703550

IUPAC2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine
SMILESCC(C)CC(c1ccccn1)C(C)C.CC(C)CC(c1ccncc1)C(C)C
InChIInChI=1S/2C13H21N/c1-10(2)9-13(11(3)4)12-5-7-14-8-6-12;1-10(2)9-12(11(3)4)13-7-5-6-8-14-13/h5-8,10-11,13H,9H2,1-4H3;5-8,10-12H,9H2,1-4H3
InChIKeyIHVMPALJVRUEKM-UHFFFAOYSA-N
MW382.64 g/mol
LogP7.73
Rot. Bonds8

About 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine

2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine (PubChem CID 158703550) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine
PubChem CID158703550
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine
SMILESCC(C)CC(c1ccccn1)C(C)C.CC(C)CC(c1ccncc1)C(C)C
InChIInChI=1S/2C13H21N/c1-10(2)9-13(11(3)4)12-5-7-14-8-6-12;1-10(2)9-12(11(3)4)13-7-5-6-8-14-13/h5-8,10-11,13H,9H2,1-4H3;5-8,10-12H,9H2,1-4H3
InChIKeyIHVMPALJVRUEKM-UHFFFAOYSA-N
XLogP7.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
4-(4-methyl-1-phenylpentan-3-yl)pyridine
CID 19783307
3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine
CID 145116291
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
[(R)-pyridin-2-yl(pyridin-4-yl)methyl]hydrazine
CID 124633781
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
pyridine;1-pyridin-2-ylethanamine
CID 159737903
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine?
The IUPAC name of 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine (CID 158703550) is 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine.
What is the SMILES notation for 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine?
The canonical SMILES for 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine is CC(C)CC(c1ccccn1)C(C)C.CC(C)CC(c1ccncc1)C(C)C.
What is the InChIKey of 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine?
The InChIKey is IHVMPALJVRUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N/c1-10(2)9-13(11(3)4)12-5-7-14-8-6-12;1-10(2)9-12(11(3)4)13-7-5-6-8-14-13/h5-8,10-11,13H,9H2,1-4H3;5-8,10-12H,9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine?
2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine has a molecular weight of 382.64 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhexan-3-yl)pyridine;4-(2,5-dimethylhexan-3-yl)pyridine is sourced from PubChem (CID 158703550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).