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

C16H24BrN3 — CID 104812527

IUPAC9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1cncc(Br)c1
InChIInChI=1S/C16H24BrN3/c1-2-15-10-19-16(5-3-4-6-16)12-20(15)11-13-7-14(17)9-18-8-13/h7-9,15,19H,2-6,10-12H2,1H3
InChIKeyCLZVFNFVDSDLOR-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.34
Rot. Bonds3

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

9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (PubChem CID 104812527) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
PubChem CID104812527
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1cncc(Br)c1
InChIInChI=1S/C16H24BrN3/c1-2-15-10-19-16(5-3-4-6-16)12-20(15)11-13-7-14(17)9-18-8-13/h7-9,15,19H,2-6,10-12H2,1H3
InChIKeyCLZVFNFVDSDLOR-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(5-bromo-3-pyridinyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 104812531
9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 104812533
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
9-[(5-methyl-3-pyridinyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 102879622
1-[(5-bromo-3-pyridinyl)methyl]-5-cyclopropyl-5-methyl-2-propylpiperazine
CID 104812552
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877165
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946171
8-ethyl-9-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64875635
9-[(2-chlorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64875826
4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64876848
5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64940035

Frequently Asked Questions

What is the IUPAC name of 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane (CID 104812527) is 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1Cc1cncc(Br)c1.
What is the InChIKey of 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is CLZVFNFVDSDLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-2-15-10-19-16(5-3-4-6-16)12-20(15)11-13-7-14(17)9-18-8-13/h7-9,15,19H,2-6,10-12H2,1H3.
What are the key properties of 9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane?
9-[(5-bromo-3-pyridinyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 338.29 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-ethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 104812527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).