1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol

C13H22N2O — CID 114495467

IUPAC1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol
SMILESCCN(Cc1ccncc1)CC(C)(O)CC
InChIInChI=1S/C13H22N2O/c1-4-13(3,16)11-15(5-2)10-12-6-8-14-9-7-12/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyUCSDOJNRDNMSGX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.06
Rot. Bonds6

About 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol

1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol (PubChem CID 114495467) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol
PubChem CID114495467
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol
SMILESCCN(Cc1ccncc1)CC(C)(O)CC
InChIInChI=1S/C13H22N2O/c1-4-13(3,16)11-15(5-2)10-12-6-8-14-9-7-12/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyUCSDOJNRDNMSGX-UHFFFAOYSA-N
XLogP2.06
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol (CID 114495467) is 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol is CCN(Cc1ccncc1)CC(C)(O)CC.
What is the InChIKey of 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol?
The InChIKey is UCSDOJNRDNMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(3,16)11-15(5-2)10-12-6-8-14-9-7-12/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol?
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 114495467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).