2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol

C15H22N4O — CID 81413209

IUPAC2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H22N4O/c1-3-15(4-2,11-20)10-18-13-5-6-14(17-9-13)19-8-7-16-12-19/h5-9,12,18,20H,3-4,10-11H2,1-2H3
InChIKeyZAFMPDYWPZPFFU-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.48
Rot. Bonds7

About 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol (PubChem CID 81413209) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol
PubChem CID81413209
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H22N4O/c1-3-15(4-2,11-20)10-18-13-5-6-14(17-9-13)19-8-7-16-12-19/h5-9,12,18,20H,3-4,10-11H2,1-2H3
InChIKeyZAFMPDYWPZPFFU-UHFFFAOYSA-N
XLogP2.48
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
N-heptan-3-yl-6-imidazol-1-ylpyridin-3-amine
CID 63945117
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
1-(6-imidazol-1-yl-3-pyridinyl)-3-(3-methylpentan-2-yl)thiourea
CID 18953574
2-ethyl-2-[(pyrimidin-5-ylamino)methyl]butan-1-ol
CID 107588244
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol (CID 81413209) is 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol?
The InChIKey is ZAFMPDYWPZPFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-15(4-2,11-20)10-18-13-5-6-14(17-9-13)19-8-7-16-12-19/h5-9,12,18,20H,3-4,10-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81413209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).