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

C18H32N2O — CID 79165128

IUPAC1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCCCC(CC)COc1ccc(C)nc1CC(N)CC
InChIInChI=1S/C18H32N2O/c1-5-8-9-15(6-2)13-21-18-11-10-14(4)20-17(18)12-16(19)7-3/h10-11,15-16H,5-9,12-13,19H2,1-4H3
InChIKeyYIKMGSAEAQTFMO-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.27
Rot. Bonds10

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

1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine (PubChem CID 79165128) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
PubChem CID79165128
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
SMILESCCCCC(CC)COc1ccc(C)nc1CC(N)CC
InChIInChI=1S/C18H32N2O/c1-5-8-9-15(6-2)13-21-18-11-10-14(4)20-17(18)12-16(19)7-3/h10-11,15-16H,5-9,12-13,19H2,1-4H3
InChIKeyYIKMGSAEAQTFMO-UHFFFAOYSA-N
XLogP4.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
CID 79164912
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840
1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79169011
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
CID 79171631
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050477
1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
CID 79164910
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366
1-[3-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
CID 79164939
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine (CID 79165128) is 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine is CCCCC(CC)COc1ccc(C)nc1CC(N)CC.
What is the InChIKey of 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine?
The InChIKey is YIKMGSAEAQTFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-8-9-15(6-2)13-21-18-11-10-14(4)20-17(18)12-16(19)7-3/h10-11,15-16H,5-9,12-13,19H2,1-4H3.
What are the key properties of 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine?
1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79165128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).