ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine

C13H23N — CID 142623932

IUPACethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine
SMILESC/C=C\N1C=CC=CC1C(C)C.CC
InChIInChI=1S/C11H17N.C2H6/c1-4-8-12-9-6-5-7-11(12)10(2)3;1-2/h4-11H,1-3H3;1-2H3/b8-4-;
InChIKeyKBNQRAKHKHEUMW-ZYFYRQFPSA-N
MW193.33 g/mol
LogP3.96
Rot. Bonds2

About ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine

ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine (PubChem CID 142623932) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine
PubChem CID142623932
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine
SMILESC/C=C\N1C=CC=CC1C(C)C.CC
InChIInChI=1S/C11H17N.C2H6/c1-4-8-12-9-6-5-7-11(12)10(2)3;1-2/h4-11H,1-3H3;1-2H3/b8-4-;
InChIKeyKBNQRAKHKHEUMW-ZYFYRQFPSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine?
The IUPAC name of ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine (CID 142623932) is ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine.
What is the SMILES notation for ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine?
The canonical SMILES for ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine is C/C=C\N1C=CC=CC1C(C)C.CC.
What is the InChIKey of ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine?
The InChIKey is KBNQRAKHKHEUMW-ZYFYRQFPSA-N. The full InChI is InChI=1S/C11H17N.C2H6/c1-4-8-12-9-6-5-7-11(12)10(2)3;1-2/h4-11H,1-3H3;1-2H3/b8-4-;.
What are the key properties of ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine?
ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1-[(Z)-prop-1-enyl]-2H-pyridine is sourced from PubChem (CID 142623932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).