2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol

C16H28N2O — CID 115374174

IUPAC2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1cncc(C)c1
InChIInChI=1S/C16H28N2O/c1-6-16(7-2,18(8-3)9-4)15(19)14-10-13(5)11-17-12-14/h10-12,15,19H,6-9H2,1-5H3
InChIKeyYSVRWHJGQWZRJO-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds7

About 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol

2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol (PubChem CID 115374174) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
PubChem CID115374174
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1cncc(C)c1
InChIInChI=1S/C16H28N2O/c1-6-16(7-2,18(8-3)9-4)15(19)14-10-13(5)11-17-12-14/h10-12,15,19H,6-9H2,1-5H3
InChIKeyYSVRWHJGQWZRJO-UHFFFAOYSA-N
XLogP3.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol (CID 115374174) is 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol is CCN(CC)C(CC)(CC)C(O)c1cncc(C)c1.
What is the InChIKey of 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is YSVRWHJGQWZRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-16(7-2,18(8-3)9-4)15(19)14-10-13(5)11-17-12-14/h10-12,15,19H,6-9H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol?
2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-ethyl-1-(5-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 115374174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).