1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol

C23H48N2O+2 — CID 90242287

IUPAC1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol
SMILESCCC1C[N+](CC)(CCC(O)[N+]2(CC)CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C23H48N2O/c1-7-19-15-24(11-5,16-20(19)8-2)14-13-23(26)25(12-6)17-21(9-3)22(10-4)18-25/h19-23,26H,7-18H2,1-6H3/q+2
InChIKeyQUWOVCYVRAXXGH-UHFFFAOYSA-N
MW368.65 g/mol
LogP4.50
Rot. Bonds10

About 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol

1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol (PubChem CID 90242287) has the molecular formula C23H48N2O+2 and a molecular weight of 368.65 g/mol. Its IUPAC name is 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol.

Molecular Properties

Compound Name1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol
PubChem CID90242287
Molecular FormulaC23H48N2O+2
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol
SMILESCCC1C[N+](CC)(CCC(O)[N+]2(CC)CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C23H48N2O/c1-7-19-15-24(11-5,16-20(19)8-2)14-13-23(26)25(12-6)17-21(9-3)22(10-4)18-25/h19-23,26H,7-18H2,1-6H3/q+2
InChIKeyQUWOVCYVRAXXGH-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol 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

1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-1,3,4-triethylpyrrolidin-1-ium
CID 144653526
3,4-diethyl-1,1-dipropylpyrrolidin-1-ium
CID 20730088
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
3-[3,4-diethyl-1-(4-oxobutyl)pyrrolidin-1-ium-1-yl]propylphosphonic acid
CID 118177801
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
2,3-diethyl-5-azoniaspiro[4.5]decane
CID 20676422
1-[(1S,2S)-2-ethylcyclopropyl]propan-2-ol
CID 67160266
(3R,4R)-4-ethyl-3-fluoro-1-hydroxy-1-propan-2-ylpiperidin-1-ium
CID 178006126
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3,4-diethyl-1-methylpyrrolidine;chloride;hydrochloride
CID 162135828
1-ethyl-1-pent-2-enylpyrrolidin-1-ium-3,4-diol
CID 71158237
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol?
The IUPAC name of 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol (CID 90242287) is 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol.
What is the SMILES notation for 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol?
The canonical SMILES for 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol is CCC1C[N+](CC)(CCC(O)[N+]2(CC)CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol?
The InChIKey is QUWOVCYVRAXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O/c1-7-19-15-24(11-5,16-20(19)8-2)14-13-23(26)25(12-6)17-21(9-3)22(10-4)18-25/h19-23,26H,7-18H2,1-6H3/q+2.
What are the key properties of 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol?
1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol has a molecular weight of 368.65 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,3,4-triethylpyrrolidin-1-ium-1-yl)propan-1-ol is sourced from PubChem (CID 90242287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).