1-methyl-3-tridecan-7-ylpyrrolidine

C18H37N — CID 129157230

IUPAC1-methyl-3-tridecan-7-ylpyrrolidine
SMILESCCCCCCC(CCCCCC)C1CCN(C)C1
InChIInChI=1S/C18H37N/c1-4-6-8-10-12-17(13-11-9-7-5-2)18-14-15-19(3)16-18/h17-18H,4-16H2,1-3H3
InChIKeyDIQSSFNBKJGLOC-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.50
Rot. Bonds11

About 1-methyl-3-tridecan-7-ylpyrrolidine

1-methyl-3-tridecan-7-ylpyrrolidine (PubChem CID 129157230) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-methyl-3-tridecan-7-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-tridecan-7-ylpyrrolidine
PubChem CID129157230
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-methyl-3-tridecan-7-ylpyrrolidine
SMILESCCCCCCC(CCCCCC)C1CCN(C)C1
InChIInChI=1S/C18H37N/c1-4-6-8-10-12-17(13-11-9-7-5-2)18-14-15-19(3)16-18/h17-18H,4-16H2,1-3H3
InChIKeyDIQSSFNBKJGLOC-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622
hexadecan-8-ylcyclohexane
CID 91510029
1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine
CID 57201068
undecan-5-ylcyclohexane
CID 524419
1-(1-methylpyrrolidin-3-yl)ethoxy-dioctylalumane
CID 139905070
(2S)-2-dodecan-6-yl-1-methylpyrrolidine
CID 130410209
3-tridecan-7-yloxetane
CID 130235812
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
nonan-3-ylcyclopentane
CID 19893531
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-tridecan-7-ylpyrrolidine?
The IUPAC name of 1-methyl-3-tridecan-7-ylpyrrolidine (CID 129157230) is 1-methyl-3-tridecan-7-ylpyrrolidine.
What is the SMILES notation for 1-methyl-3-tridecan-7-ylpyrrolidine?
The canonical SMILES for 1-methyl-3-tridecan-7-ylpyrrolidine is CCCCCCC(CCCCCC)C1CCN(C)C1.
What is the InChIKey of 1-methyl-3-tridecan-7-ylpyrrolidine?
The InChIKey is DIQSSFNBKJGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-6-8-10-12-17(13-11-9-7-5-2)18-14-15-19(3)16-18/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-methyl-3-tridecan-7-ylpyrrolidine?
1-methyl-3-tridecan-7-ylpyrrolidine has a molecular weight of 267.50 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-tridecan-7-ylpyrrolidine is sourced from PubChem (CID 129157230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).