(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol

C18H24N2O — CID 139262037

IUPAC(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol
SMILESCC(C)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1
InChIInChI=1S/C18H24N2O/c1-12(2)13-8-6-9-14(19-13)15-10-7-11-16(20-15)17(21)18(3,4)5/h6-12,17,21H,1-5H3/t17-/m1/s1
InChIKeyGHEHKFDOIZQVDI-QGZVFWFLSA-N
MW284.40 g/mol
LogP4.35
Rot. Bonds3

About (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol

(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol (PubChem CID 139262037) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol
PubChem CID139262037
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol
SMILESCC(C)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1
InChIInChI=1S/C18H24N2O/c1-12(2)13-8-6-9-14(19-13)15-10-7-11-16(20-15)17(21)18(3,4)5/h6-12,17,21H,1-5H3/t17-/m1/s1
InChIKeyGHEHKFDOIZQVDI-QGZVFWFLSA-N
XLogP4.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol (CID 139262037) is (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol is CC(C)c1cccc(-c2cccc([C@@H](O)C(C)(C)C)n2)n1.
What is the InChIKey of (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol?
The InChIKey is GHEHKFDOIZQVDI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(2)13-8-6-9-14(19-13)15-10-7-11-16(20-15)17(21)18(3,4)5/h6-12,17,21H,1-5H3/t17-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol?
(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 139262037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).