1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine

C15H22N4O — CID 79169011

IUPAC1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCCn1ccnc1
InChIInChI=1S/C15H22N4O/c1-3-13(16)10-14-15(5-4-12(2)18-14)20-9-8-19-7-6-17-11-19/h4-7,11,13H,3,8-10,16H2,1-2H3
InChIKeyZASCHKRXQNQKEP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.95
Rot. Bonds7

About 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine

1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine (PubChem CID 79169011) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
PubChem CID79169011
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCCn1ccnc1
InChIInChI=1S/C15H22N4O/c1-3-13(16)10-14-15(5-4-12(2)18-14)20-9-8-19-7-6-17-11-19/h4-7,11,13H,3,8-10,16H2,1-2H3
InChIKeyZASCHKRXQNQKEP-UHFFFAOYSA-N
XLogP1.95
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
CID 63326379
1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79164930
1-[3,5-dibromo-4-(2-imidazol-1-ylethoxy)phenyl]butan-2-amine
CID 107740010
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840
1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79165128
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
CID 79171631
1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
CID 79164910
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
1-[6-methyl-3-(2-piperidin-1-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79169001
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
CID 75499778

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine (CID 79169011) is 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine is CCC(N)Cc1nc(C)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine?
The InChIKey is ZASCHKRXQNQKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-13(16)10-14-15(5-4-12(2)18-14)20-9-8-19-7-6-17-11-19/h4-7,11,13H,3,8-10,16H2,1-2H3.
What are the key properties of 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine?
1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79169011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).