3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine

C12H17BrN2O — CID 104777207

IUPAC3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
SMILESCC1(C)CC(Nc2ccncc2Br)CCO1
InChIInChI=1S/C12H17BrN2O/c1-12(2)7-9(4-6-16-12)15-11-3-5-14-8-10(11)13/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,15)
InChIKeyXBSFQGXKPIBKDC-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.21
Rot. Bonds2

About 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine

3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine (PubChem CID 104777207) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
PubChem CID104777207
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
SMILESCC1(C)CC(Nc2ccncc2Br)CCO1
InChIInChI=1S/C12H17BrN2O/c1-12(2)7-9(4-6-16-12)15-11-3-5-14-8-10(11)13/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,15)
InChIKeyXBSFQGXKPIBKDC-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
N-(2-bromo-4-iodophenyl)-2,2-dimethyloxan-4-amine
CID 114259179
3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
CID 130719191
N-(2,2-dimethyloxan-4-yl)-2-methylpyridin-3-amine
CID 79042204
N-(2-bromo-5-chloro-4-methylphenyl)-2,2-dimethyloxan-4-amine
CID 104722830
1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine
CID 175937699
4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
CID 104776650
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
CID 107598228
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
CID 113452035
4-bromo-2-(cyclopropylmethyl)-5-[(2,2-dimethyloxan-4-yl)amino]pyridazin-3-one
CID 114441149

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine (CID 104777207) is 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine is CC1(C)CC(Nc2ccncc2Br)CCO1.
What is the InChIKey of 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
The InChIKey is XBSFQGXKPIBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2)7-9(4-6-16-12)15-11-3-5-14-8-10(11)13/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine?
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine has a molecular weight of 285.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine is sourced from PubChem (CID 104777207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).