1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine

C26H51NO2 — CID 13264226

IUPAC1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine
SMILESCCCCCCCCCC1(CCCCCCCCC)OCC(CN2CCCC2)O1
InChIInChI=1S/C26H51NO2/c1-3-5-7-9-11-13-15-19-26(20-16-14-12-10-8-6-4-2)28-24-25(29-26)23-27-21-17-18-22-27/h25H,3-24H2,1-2H3
InChIKeyDEDYDFNYXGMGKM-UHFFFAOYSA-N
MW409.70 g/mol
LogP7.48
Rot. Bonds18

About 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine

1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine (PubChem CID 13264226) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine
PubChem CID13264226
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC Name1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine
SMILESCCCCCCCCCC1(CCCCCCCCC)OCC(CN2CCCC2)O1
InChIInChI=1S/C26H51NO2/c1-3-5-7-9-11-13-15-19-26(20-16-14-12-10-8-6-4-2)28-24-25(29-26)23-27-21-17-18-22-27/h25H,3-24H2,1-2H3
InChIKeyDEDYDFNYXGMGKM-UHFFFAOYSA-N
XLogP7.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine 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-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]piperidine
CID 13264227
1-[[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]methyl]-4-methylpiperazine
CID 58473230
N,N-bis[4-(2,2-dihexyl-1,3-dioxolan-4-yl)butyl]hexan-1-amine
CID 169169928
4-(chloromethyl)-2-heptadeca-8,11-dienyl-2-octadeca-9,12-dienyl-1,3-dioxolane
CID 76749811
4-(chloromethyl)-2-octadeca-9,12-dienyl-2-octadecyl-1,3-dioxolane
CID 91555215
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
4-[[2,2-bis[(Z)-octadec-9-enyl]-1,3-dioxolan-4-yl]methyl]-1-methylpiperidine
CID 139380695
2-[(9Z,12Z)-icosa-9,12-dienyl]-2-[(5Z,8Z)-pentadeca-5,8-dienyl]-4-propyl-1,3-dioxolane
CID 134393906
4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878
1-[(4S)-2,2-bis[(8Z,10Z)-hexadeca-8,10-dienyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
CID 46187857
(2,2-dihexadecyl-1,3-dioxolan-4-yl)methoxy-methylperoxy-oxophosphanium
CID 167446624
2-[2-[(6Z,9Z)-octadeca-6,9-dienyl]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]-1,3-dioxolan-4-yl]ethanol
CID 70807768

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine (CID 13264226) is 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine is CCCCCCCCCC1(CCCCCCCCC)OCC(CN2CCCC2)O1.
What is the InChIKey of 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine?
The InChIKey is DEDYDFNYXGMGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c1-3-5-7-9-11-13-15-19-26(20-16-14-12-10-8-6-4-2)28-24-25(29-26)23-27-21-17-18-22-27/h25H,3-24H2,1-2H3.
What are the key properties of 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine?
1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine has a molecular weight of 409.70 g/mol, XLogP of 7.48, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-di(nonyl)-1,3-dioxolan-4-yl]methyl]pyrrolidine is sourced from PubChem (CID 13264226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).