1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol

C13H22N2O2 — CID 66178809

IUPAC1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1cccc(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-10(2)8-13(3,16)9-14-11-6-5-7-12(15-11)17-4/h5-7,10,16H,8-9H2,1-4H3,(H,14,15)
InChIKeyUWMORBSKOGMVLK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds6

About 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol

1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 66178809) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol
PubChem CID66178809
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol
SMILESCOc1cccc(NCC(C)(O)CC(C)C)n1
InChIInChI=1S/C13H22N2O2/c1-10(2)8-13(3,16)9-14-11-6-5-7-12(15-11)17-4/h5-7,10,16H,8-9H2,1-4H3,(H,14,15)
InChIKeyUWMORBSKOGMVLK-UHFFFAOYSA-N
XLogP2.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol (CID 66178809) is 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol is COc1cccc(NCC(C)(O)CC(C)C)n1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is UWMORBSKOGMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)8-13(3,16)9-14-11-6-5-7-12(15-11)17-4/h5-7,10,16H,8-9H2,1-4H3,(H,14,15).
What are the key properties of 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol?
1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66178809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).