ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol

C13H23NO — CID 142544002

IUPACethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol
SMILESCC.CC(C)c1ccc(C(C)(C)O)cn1
InChIInChI=1S/C11H17NO.C2H6/c1-8(2)10-6-5-9(7-12-10)11(3,4)13;1-2/h5-8,13H,1-4H3;1-2H3
InChIKeyNSPOBICOWRXMEI-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.46
Rot. Bonds2

About ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol

ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol (PubChem CID 142544002) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol
PubChem CID142544002
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol
SMILESCC.CC(C)c1ccc(C(C)(C)O)cn1
InChIInChI=1S/C11H17NO.C2H6/c1-8(2)10-6-5-9(7-12-10)11(3,4)13;1-2/h5-8,13H,1-4H3;1-2H3
InChIKeyNSPOBICOWRXMEI-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol?
The IUPAC name of ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol (CID 142544002) is ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol.
What is the SMILES notation for ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol?
The canonical SMILES for ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol is CC.CC(C)c1ccc(C(C)(C)O)cn1.
What is the InChIKey of ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol?
The InChIKey is NSPOBICOWRXMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-8(2)10-6-5-9(7-12-10)11(3,4)13;1-2/h5-8,13H,1-4H3;1-2H3.
What are the key properties of ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol?
ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 142544002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).