1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol

C13H23N3O — CID 79062350

IUPAC1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(C(O)c1cccnc1N)N(C)C
InChIInChI=1S/C13H23N3O/c1-5-13(6-2,16(3)4)11(17)10-8-7-9-15-12(10)14/h7-9,11,17H,5-6H2,1-4H3,(H2,14,15)
InChIKeyJIFQTNBIPCRRQO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol

1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol (PubChem CID 79062350) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
PubChem CID79062350
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(C(O)c1cccnc1N)N(C)C
InChIInChI=1S/C13H23N3O/c1-5-13(6-2,16(3)4)11(17)10-8-7-9-15-12(10)14/h7-9,11,17H,5-6H2,1-4H3,(H2,14,15)
InChIKeyJIFQTNBIPCRRQO-UHFFFAOYSA-N
XLogP1.82
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol (CID 79062350) is 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol is CCC(CC)(C(O)c1cccnc1N)N(C)C.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol?
The InChIKey is JIFQTNBIPCRRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13(6-2,16(3)4)11(17)10-8-7-9-15-12(10)14/h7-9,11,17H,5-6H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol?
1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-2-(dimethylamino)-2-ethylbutan-1-ol is sourced from PubChem (CID 79062350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).