2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol

C15H22N4O — CID 81419902

IUPAC2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cccnc1-n1ccnc1C
InChIInChI=1S/C15H22N4O/c1-4-15(3,11-20)10-18-13-6-5-7-17-14(13)19-9-8-16-12(19)2/h5-9,18,20H,4,10-11H2,1-3H3
InChIKeyKAOSYEXRNCXEKL-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.40
Rot. Bonds6

About 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol

2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol (PubChem CID 81419902) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol
PubChem CID81419902
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cccnc1-n1ccnc1C
InChIInChI=1S/C15H22N4O/c1-4-15(3,11-20)10-18-13-6-5-7-17-14(13)19-9-8-16-12(19)2/h5-9,18,20H,4,10-11H2,1-3H3
InChIKeyKAOSYEXRNCXEKL-UHFFFAOYSA-N
XLogP2.40
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol (CID 81419902) is 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol is CCC(C)(CO)CNc1cccnc1-n1ccnc1C.
What is the InChIKey of 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol?
The InChIKey is KAOSYEXRNCXEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-15(3,11-20)10-18-13-6-5-7-17-14(13)19-9-8-16-12(19)2/h5-9,18,20H,4,10-11H2,1-3H3.
What are the key properties of 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol?
2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[2-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 81419902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).