6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol

C24H35NO — CID 174423462

IUPAC6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol
SMILESCC(C)CCC(c1ccccc1)C(CO)C(Cc1cccnc1)C(C)C
InChIInChI=1S/C24H35NO/c1-18(2)12-13-22(21-10-6-5-7-11-21)24(17-26)23(19(3)4)15-20-9-8-14-25-16-20/h5-11,14,16,18-19,22-24,26H,12-13,15,17H2,1-4H3
InChIKeySVKYLKBBVWMIAY-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.72
Rot. Bonds10

About 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol

6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol (PubChem CID 174423462) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol.

Molecular Properties

Compound Name6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol
PubChem CID174423462
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol
SMILESCC(C)CCC(c1ccccc1)C(CO)C(Cc1cccnc1)C(C)C
InChIInChI=1S/C24H35NO/c1-18(2)12-13-22(21-10-6-5-7-11-21)24(17-26)23(19(3)4)15-20-9-8-14-25-16-20/h5-11,14,16,18-19,22-24,26H,12-13,15,17H2,1-4H3
InChIKeySVKYLKBBVWMIAY-UHFFFAOYSA-N
XLogP5.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
2-bromo-3-pyridin-3-ylpropan-1-ol
CID 70078004
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
2-[1-(2-ethylphenyl)ethyl]-3-(pyridin-3-ylmethyl)pentan-1-ol
CID 175233459
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol?
The IUPAC name of 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol (CID 174423462) is 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol.
What is the SMILES notation for 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol?
The canonical SMILES for 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol is CC(C)CCC(c1ccccc1)C(CO)C(Cc1cccnc1)C(C)C.
What is the InChIKey of 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol?
The InChIKey is SVKYLKBBVWMIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-18(2)12-13-22(21-10-6-5-7-11-21)24(17-26)23(19(3)4)15-20-9-8-14-25-16-20/h5-11,14,16,18-19,22-24,26H,12-13,15,17H2,1-4H3.
What are the key properties of 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol?
6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol has a molecular weight of 353.55 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methyl-1-pyridin-3-ylbutan-2-yl)-3-phenylheptan-1-ol is sourced from PubChem (CID 174423462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).