3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine

C19H25N — CID 145116291

IUPAC3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine
SMILESCC(C)C[C@@H](c1ccc(-c2cccnc2)cc1)C(C)C
InChIInChI=1S/C19H25N/c1-14(2)12-19(15(3)4)17-9-7-16(8-10-17)18-6-5-11-20-13-18/h5-11,13-15,19H,12H2,1-4H3/t19-/m1/s1
InChIKeyQCCFUWGRHOFDMW-LJQANCHMSA-N
MW267.42 g/mol
LogP5.53
Rot. Bonds5

About 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine

3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine (PubChem CID 145116291) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine
PubChem CID145116291
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine
SMILESCC(C)C[C@@H](c1ccc(-c2cccnc2)cc1)C(C)C
InChIInChI=1S/C19H25N/c1-14(2)12-19(15(3)4)17-9-7-16(8-10-17)18-6-5-11-20-13-18/h5-11,13-15,19H,12H2,1-4H3/t19-/m1/s1
InChIKeyQCCFUWGRHOFDMW-LJQANCHMSA-N
XLogP5.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
3-azulen-6-ylpyridine
CID 86232079
cyclopenta[c]azepine
CID 638010
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
(1R)-2,2,2-trifluoro-1-(4-pyridin-3-ylphenyl)ethanamine
CID 66511645

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine (CID 145116291) is 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine is CC(C)C[C@@H](c1ccc(-c2cccnc2)cc1)C(C)C.
What is the InChIKey of 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine?
The InChIKey is QCCFUWGRHOFDMW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N/c1-14(2)12-19(15(3)4)17-9-7-16(8-10-17)18-6-5-11-20-13-18/h5-11,13-15,19H,12H2,1-4H3/t19-/m1/s1.
What are the key properties of 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine?
3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine has a molecular weight of 267.42 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine is sourced from PubChem (CID 145116291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).