3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine

C20H34N2O — CID 146548076

IUPAC3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine
SMILESCC(C)[C@H](C)NC1CC(Oc2ccc(CCC(C)(C)C)cn2)C1
InChIInChI=1S/C20H34N2O/c1-14(2)15(3)22-17-11-18(12-17)23-19-8-7-16(13-21-19)9-10-20(4,5)6/h7-8,13-15,17-18,22H,9-12H2,1-6H3/t15-,17?,18?/m0/s1
InChIKeyJSVCVWYCQCEBHH-ZLPCBKJTSA-N
MW318.50 g/mol
LogP4.60
Rot. Bonds7

About 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine

3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine (PubChem CID 146548076) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine
PubChem CID146548076
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine
SMILESCC(C)[C@H](C)NC1CC(Oc2ccc(CCC(C)(C)C)cn2)C1
InChIInChI=1S/C20H34N2O/c1-14(2)15(3)22-17-11-18(12-17)23-19-8-7-16(13-21-19)9-10-20(4,5)6/h7-8,13-15,17-18,22H,9-12H2,1-6H3/t15-,17?,18?/m0/s1
InChIKeyJSVCVWYCQCEBHH-ZLPCBKJTSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine with MolForge

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Related Compounds

N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-methylpropane)
CID 167704162
N-tert-butyl-3-[[4-[5-[[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutyl]amino]-2,5-dimethylhexan-2-yl]-2-pyridinyl]oxy]cyclobutan-1-amine
CID 134414186
3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]-N-propan-2-ylcyclobutan-1-amine
CID 155215049
1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
CID 146179421
ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
CID 142409721
N-tert-butyl-3-[[5-(2-methylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
CID 146520477
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66226369
1-[[6-[3-(1-sulfanylethylamino)cyclobutyl]oxy-3-pyridinyl]oxy]butan-2-one
CID 155321947
3-[(4-ethyl-2-pyridinyl)oxy]-N-propan-2-ylcyclobutan-1-amine
CID 135175004
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 114342292
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine (CID 146548076) is 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine is CC(C)[C@H](C)NC1CC(Oc2ccc(CCC(C)(C)C)cn2)C1.
What is the InChIKey of 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine?
The InChIKey is JSVCVWYCQCEBHH-ZLPCBKJTSA-N. The full InChI is InChI=1S/C20H34N2O/c1-14(2)15(3)22-17-11-18(12-17)23-19-8-7-16(13-21-19)9-10-20(4,5)6/h7-8,13-15,17-18,22H,9-12H2,1-6H3/t15-,17?,18?/m0/s1.
What are the key properties of 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine?
3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine has a molecular weight of 318.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 146548076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).