3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol

C13H23N3O2 — CID 65337596

IUPAC3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
SMILESCOc1nccc(N(C)C)c1NC(C)C(C)(C)O
InChIInChI=1S/C13H23N3O2/c1-9(13(2,3)17)15-11-10(16(4)5)7-8-14-12(11)18-6/h7-9,15,17H,1-6H3
InChIKeyZOAXOFSQDFDMHX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.73
Rot. Bonds5

About 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol

3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol (PubChem CID 65337596) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
PubChem CID65337596
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
SMILESCOc1nccc(N(C)C)c1NC(C)C(C)(C)O
InChIInChI=1S/C13H23N3O2/c1-9(13(2,3)17)15-11-10(16(4)5)7-8-14-12(11)18-6/h7-9,15,17H,1-6H3
InChIKeyZOAXOFSQDFDMHX-UHFFFAOYSA-N
XLogP1.73
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol (CID 65337596) is 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol is COc1nccc(N(C)C)c1NC(C)C(C)(C)O.
What is the InChIKey of 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol?
The InChIKey is ZOAXOFSQDFDMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(13(2,3)17)15-11-10(16(4)5)7-8-14-12(11)18-6/h7-9,15,17H,1-6H3.
What are the key properties of 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol?
3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).