1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine

C18H32N2O — CID 79164912

IUPAC1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
SMILESCCCCCCCCOc1ccc(C)nc1CC(N)CC
InChIInChI=1S/C18H32N2O/c1-4-6-7-8-9-10-13-21-18-12-11-15(3)20-17(18)14-16(19)5-2/h11-12,16H,4-10,13-14,19H2,1-3H3
InChIKeyRCQWPVBGTQCKLR-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.41
Rot. Bonds11

About 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine

1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine (PubChem CID 79164912) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
PubChem CID79164912
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine
SMILESCCCCCCCCOc1ccc(C)nc1CC(N)CC
InChIInChI=1S/C18H32N2O/c1-4-6-7-8-9-10-13-21-18-12-11-15(3)20-17(18)14-16(19)5-2/h11-12,16H,4-10,13-14,19H2,1-3H3
InChIKeyRCQWPVBGTQCKLR-UHFFFAOYSA-N
XLogP4.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79165128
1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79164930
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
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-(3,5-dimethylcyclohexyl)oxy-6-methyl-2-pyridinyl]butan-2-amine
CID 79164939
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
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
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine (CID 79164912) is 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine is CCCCCCCCOc1ccc(C)nc1CC(N)CC.
What is the InChIKey of 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine?
The InChIKey is RCQWPVBGTQCKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-6-7-8-9-10-13-21-18-12-11-15(3)20-17(18)14-16(19)5-2/h11-12,16H,4-10,13-14,19H2,1-3H3.
What are the key properties of 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine?
1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-octoxy-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 79164912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).