5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine

C12H15BrN2O2 — CID 97338040

IUPAC5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine
SMILESBrc1cncc(N[C@H]2CCC3(C2)OCCO3)c1
InChIInChI=1S/C12H15BrN2O2/c13-9-5-11(8-14-7-9)15-10-1-2-12(6-10)16-3-4-17-12/h5,7-8,10,15H,1-4,6H2/t10-/m0/s1
InChIKeyTYYHFRSAUDQAAN-JTQLQIEISA-N
MW299.17 g/mol
LogP2.55
Rot. Bonds2

About 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine

5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine (PubChem CID 97338040) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine
PubChem CID97338040
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine
SMILESBrc1cncc(N[C@H]2CCC3(C2)OCCO3)c1
InChIInChI=1S/C12H15BrN2O2/c13-9-5-11(8-14-7-9)15-10-1-2-12(6-10)16-3-4-17-12/h5,7-8,10,15H,1-4,6H2/t10-/m0/s1
InChIKeyTYYHFRSAUDQAAN-JTQLQIEISA-N
XLogP2.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine (CID 97338040) is 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine is Brc1cncc(N[C@H]2CCC3(C2)OCCO3)c1.
What is the InChIKey of 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine?
The InChIKey is TYYHFRSAUDQAAN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-5-11(8-14-7-9)15-10-1-2-12(6-10)16-3-4-17-12/h5,7-8,10,15H,1-4,6H2/t10-/m0/s1.
What are the key properties of 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine?
5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine has a molecular weight of 299.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(8S)-1,4-dioxaspiro[4.4]nonan-8-yl]pyridin-3-amine is sourced from PubChem (CID 97338040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).