9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane

C17H24BrN3 — CID 104812533

IUPAC9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
SMILESBrc1cncc(CN2CC3(CCCC3)NCC2C2CC2)c1
InChIInChI=1S/C17H24BrN3/c18-15-7-13(8-19-9-15)11-21-12-17(5-1-2-6-17)20-10-16(21)14-3-4-14/h7-9,14,16,20H,1-6,10-12H2
InChIKeyAUQRYFUCOLDBRM-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.34
Rot. Bonds3

About 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane

9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane (PubChem CID 104812533) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
PubChem CID104812533
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
SMILESBrc1cncc(CN2CC3(CCCC3)NCC2C2CC2)c1
InChIInChI=1S/C17H24BrN3/c18-15-7-13(8-19-9-15)11-21-12-17(5-1-2-6-17)20-10-16(21)14-3-4-14/h7-9,14,16,20H,1-6,10-12H2
InChIKeyAUQRYFUCOLDBRM-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane (CID 104812533) is 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane is Brc1cncc(CN2CC3(CCCC3)NCC2C2CC2)c1.
What is the InChIKey of 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The InChIKey is AUQRYFUCOLDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c18-15-7-13(8-19-9-15)11-21-12-17(5-1-2-6-17)20-10-16(21)14-3-4-14/h7-9,14,16,20H,1-6,10-12H2.
What are the key properties of 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane has a molecular weight of 350.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 104812533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).