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

C19H38N4+2 — CID 10367964

IUPAC8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane
SMILESC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1
InChIInChI=1S/C19H38N4/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/q+2
InChIKeyPAUYILXACZPXCX-UHFFFAOYSA-N
MW322.54 g/mol
LogP1.23
Rot. Bonds4

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

8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 10367964) has the molecular formula C19H38N4+2 and a molecular weight of 322.54 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.

Molecular Properties

Compound Name8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane
PubChem CID10367964
Molecular FormulaC19H38N4+2
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane
SMILESC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1
InChIInChI=1S/C19H38N4/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/q+2
InChIKeyPAUYILXACZPXCX-UHFFFAOYSA-N
XLogP1.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 51.23
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?
The IUPAC name of 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane (CID 10367964) is 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane.
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?
The canonical SMILES for 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane is C(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1.
What is the InChIKey of 8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane?
The InChIKey is PAUYILXACZPXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/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/q+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?
8-[3-(8-aza-5-azoniaspiro[4.5]decan-8-yl)propyl]-8-aza-5-azoniaspiro[4.5]decane has a molecular weight of 322.54 g/mol, XLogP of 1.23, 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 is sourced from PubChem (CID 10367964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).