1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine

C17H28N2O — CID 64729371

IUPAC1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(OC1CC(C)CC(C)C1)c1ccccn1
InChIInChI=1S/C17H28N2O/c1-4-15(18)17(16-7-5-6-8-19-16)20-14-10-12(2)9-13(3)11-14/h5-8,12-15,17H,4,9-11,18H2,1-3H3
InChIKeyIQNADEVCFFFDAD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.70
Rot. Bonds5

About 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine

1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine (PubChem CID 64729371) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
PubChem CID64729371
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(OC1CC(C)CC(C)C1)c1ccccn1
InChIInChI=1S/C17H28N2O/c1-4-15(18)17(16-7-5-6-8-19-16)20-14-10-12(2)9-13(3)11-14/h5-8,12-15,17H,4,9-11,18H2,1-3H3
InChIKeyIQNADEVCFFFDAD-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
CID 102605618
1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
CID 82005131
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268
ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104
1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
CID 62124060
2-(1-cyclopropylpropyl)pyridine
CID 154455035
2-amino-3-(methoxymethoxy)-3-pyridin-2-ylpropan-1-ol
CID 140762682
ethane;2-pentan-3-ylpyridine
CID 142883968

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine (CID 64729371) is 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine is CCC(N)C(OC1CC(C)CC(C)C1)c1ccccn1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine?
The InChIKey is IQNADEVCFFFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15(18)17(16-7-5-6-8-19-16)20-14-10-12(2)9-13(3)11-14/h5-8,12-15,17H,4,9-11,18H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine?
1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 64729371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).