3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium

C18H38N2+2 — CID 3246352

IUPAC3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium
SMILESC[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1
InChIInChI=1S/C18H38N2/c1-17-8-6-9-18(16-17)10-14-20(5,15-11-18)13-7-12-19(2,3)4/h17H,6-16H2,1-5H3/q+2/t17-,18?,20?/m0/s1
InChIKeyONJNGXXZZLUSKY-ZJRDLVKKSA-N
MW282.52 g/mol
LogP3.52
Rot. Bonds4

About 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium

3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium (PubChem CID 3246352) has the molecular formula C18H38N2+2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium
PubChem CID3246352
Molecular FormulaC18H38N2+2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium
SMILESC[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1
InChIInChI=1S/C18H38N2/c1-17-8-6-9-18(16-17)10-14-20(5,15-11-18)13-7-12-19(2,3)4/h17H,6-16H2,1-5H3/q+2/t17-,18?,20?/m0/s1
InChIKeyONJNGXXZZLUSKY-ZJRDLVKKSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium 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

CID 129872
CID 129872
CID 57402891
CID 57402891
CID 56993
CID 56993
CID 54605840
CID 54605840
CID 415698
CID 415698
CID 9797268
CID 9797268
CID 21827290
CID 21827290
CID 44331793
CID 44331793
CID 13055
CID 13055
CID 29767
CID 29767
CID 415815
CID 415815
CID 10783043
CID 10783043

Frequently Asked Questions

What is the IUPAC name of 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium?
The IUPAC name of 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium (CID 3246352) is 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium.
What is the SMILES notation for 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium?
The canonical SMILES for 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium is C[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1.
What is the InChIKey of 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium?
The InChIKey is ONJNGXXZZLUSKY-ZJRDLVKKSA-N. The full InChI is InChI=1S/C18H38N2/c1-17-8-6-9-18(16-17)10-14-20(5,15-11-18)13-7-12-19(2,3)4/h17H,6-16H2,1-5H3/q+2/t17-,18?,20?/m0/s1.
What are the key properties of 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium?
3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium has a molecular weight of 282.52 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10S)-3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl]propyl-trimethylazanium is sourced from PubChem (CID 3246352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).