1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol

C13H23N3O2 — CID 66001095

IUPAC1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
SMILESCOCCNCCC(C)(O)Cc1cccnc1N
InChIInChI=1S/C13H23N3O2/c1-13(17,5-7-15-8-9-18-2)10-11-4-3-6-16-12(11)14/h3-4,6,15,17H,5,7-10H2,1-2H3,(H2,14,16)
InChIKeyLWQBOYRQYNTVAU-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.58
Rot. Bonds8

About 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol

1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol (PubChem CID 66001095) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
PubChem CID66001095
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
SMILESCOCCNCCC(C)(O)Cc1cccnc1N
InChIInChI=1S/C13H23N3O2/c1-13(17,5-7-15-8-9-18-2)10-11-4-3-6-16-12(11)14/h3-4,6,15,17H,5,7-10H2,1-2H3,(H2,14,16)
InChIKeyLWQBOYRQYNTVAU-UHFFFAOYSA-N
XLogP0.58
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol (CID 66001095) is 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol is COCCNCCC(C)(O)Cc1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The InChIKey is LWQBOYRQYNTVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(17,5-7-15-8-9-18-2)10-11-4-3-6-16-12(11)14/h3-4,6,15,17H,5,7-10H2,1-2H3,(H2,14,16).
What are the key properties of 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 66001095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).