4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine

C15H23ClN2O — CID 158554165

IUPAC4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine
SMILESCC1(C)CC(Nc2cc(C(C)(C)C)c(Cl)cn2)CO1
InChIInChI=1S/C15H23ClN2O/c1-14(2,3)11-6-13(17-8-12(11)16)18-10-7-15(4,5)19-9-10/h6,8,10H,7,9H2,1-5H3,(H,17,18)
InChIKeyBLNUEAUHEINXPU-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.01
Rot. Bonds2

About 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine

4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine (PubChem CID 158554165) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine
PubChem CID158554165
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine
SMILESCC1(C)CC(Nc2cc(C(C)(C)C)c(Cl)cn2)CO1
InChIInChI=1S/C15H23ClN2O/c1-14(2,3)11-6-13(17-8-12(11)16)18-10-7-15(4,5)19-9-10/h6,8,10H,7,9H2,1-5H3,(H,17,18)
InChIKeyBLNUEAUHEINXPU-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895
1-chloro-N-[(3S)-5,5-dimethyloxolan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 170173524
4-N-[5-chloro-4-[6-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906393
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215
4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine
CID 126724569
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-imidazol-2-amine
CID 106578773
5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 83029223
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658028
2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
CID 106658164
(2R)-3-[[4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]amino]-1,1,1-trifluoropropan-2-ol
CID 66937185
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine (CID 158554165) is 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine is CC1(C)CC(Nc2cc(C(C)(C)C)c(Cl)cn2)CO1.
What is the InChIKey of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
The InChIKey is BLNUEAUHEINXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-14(2,3)11-6-13(17-8-12(11)16)18-10-7-15(4,5)19-9-10/h6,8,10H,7,9H2,1-5H3,(H,17,18).
What are the key properties of 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine?
4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine has a molecular weight of 282.81 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-N-(5,5-dimethyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 158554165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).