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

C17H23N3O — CID 79164930

IUPAC1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCCc1ccccn1
InChIInChI=1S/C17H23N3O/c1-3-14(18)12-16-17(8-7-13(2)20-16)21-11-9-15-6-4-5-10-19-15/h4-8,10,14H,3,9,11-12,18H2,1-2H3
InChIKeyRRJDXRDLCUOXSC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds7

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

1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine (PubChem CID 79164930) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine
PubChem CID79164930
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCCc1ccccn1
InChIInChI=1S/C17H23N3O/c1-3-14(18)12-16-17(8-7-13(2)20-16)21-11-9-15-6-4-5-10-19-15/h4-8,10,14H,3,9,11-12,18H2,1-2H3
InChIKeyRRJDXRDLCUOXSC-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanamine
CID 79151107
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912
1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79169011
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
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66404885
1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
CID 79164910
1-[3-(3,4-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
CID 79165140
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine (CID 79164930) is 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine is CCC(N)Cc1nc(C)ccc1OCCc1ccccn1.
What is the InChIKey of 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine?
The InChIKey is RRJDXRDLCUOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-14(18)12-16-17(8-7-13(2)20-16)21-11-9-15-6-4-5-10-19-15/h4-8,10,14H,3,9,11-12,18H2,1-2H3.
What are the key properties of 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine?
1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79164930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).