1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol

C13H22N2O2 — CID 107153195

IUPAC1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
SMILESCOc1ccc(NCC(O)CC(C)(C)C)nc1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)7-10(16)8-14-12-6-5-11(17-4)9-15-12/h5-6,9-10,16H,7-8H2,1-4H3,(H,14,15)
InChIKeyKYUDSAKDEZTTHA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.30
Rot. Bonds5

About 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol

1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107153195) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107153195
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
SMILESCOc1ccc(NCC(O)CC(C)(C)C)nc1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)7-10(16)8-14-12-6-5-11(17-4)9-15-12/h5-6,9-10,16H,7-8H2,1-4H3,(H,14,15)
InChIKeyKYUDSAKDEZTTHA-UHFFFAOYSA-N
XLogP2.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol (CID 107153195) is 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol is COc1ccc(NCC(O)CC(C)(C)C)nc1.
What is the InChIKey of 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is KYUDSAKDEZTTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)7-10(16)8-14-12-6-5-11(17-4)9-15-12/h5-6,9-10,16H,7-8H2,1-4H3,(H,14,15).
What are the key properties of 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol?
1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107153195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).