8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide

C19H38Br2N4 — CID 10367963

IUPAC8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide
SMILESC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1.[Br-].[Br-]
InChIInChI=1S/C19H38N4.2BrH/c1-2-13-22(12-1)16-8-20(9-17-22)6-5-7-21-10-18-23(19-11-21)14-3-4-15-23;;/h1-19H2;2*1H/q+2;;/p-2
InChIKeyZHZZVWCCRPAXBN-UHFFFAOYSA-L
MW482.35 g/mol
LogP-4.76
Rot. Bonds4

About 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide

8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide (PubChem CID 10367963) has the molecular formula C19H38Br2N4 and a molecular weight of 482.35 g/mol. Its IUPAC name is 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide.

Molecular Properties

Compound Name8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide
PubChem CID10367963
Molecular FormulaC19H38Br2N4
Molecular Weight482.35 g/mol
Exact Mass480.15
IUPAC Name8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide
SMILESC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1.[Br-].[Br-]
InChIInChI=1S/C19H38N4.2BrH/c1-2-13-22(12-1)16-8-20(9-17-22)6-5-7-21-10-18-23(19-11-21)14-3-4-15-23;;/h1-19H2;2*1H/q+2;;/p-2
InChIKeyZHZZVWCCRPAXBN-UHFFFAOYSA-L
XLogP-4.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.35
LogP ≤ 5-4.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide?
The IUPAC name of 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide (CID 10367963) is 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide.
What is the SMILES notation for 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide?
The canonical SMILES for 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide is C(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1.[Br-].[Br-].
What is the InChIKey of 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide?
The InChIKey is ZHZZVWCCRPAXBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H38N4.2BrH/c1-2-13-22(12-1)16-8-20(9-17-22)6-5-7-21-10-18-23(19-11-21)14-3-4-15-23;;/h1-19H2;2*1H/q+2;;/p-2.
What are the key properties of 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide?
8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide has a molecular weight of 482.35 g/mol, XLogP of -4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane dibromide is sourced from PubChem (CID 10367963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).