1-(18-methylnonadecan-6-yl)pyrrolidine

C24H49N — CID 69395042

IUPAC1-(18-methylnonadecan-6-yl)pyrrolidine
SMILESCCCCCC(CCCCCCCCCCCC(C)C)N1CCCC1
InChIInChI=1S/C24H49N/c1-4-5-13-19-24(25-21-16-17-22-25)20-15-12-10-8-6-7-9-11-14-18-23(2)3/h23-24H,4-22H2,1-3H3
InChIKeyPUBOALWMUHRTEQ-UHFFFAOYSA-N
MW351.66 g/mol
LogP7.98
Rot. Bonds17

About 1-(18-methylnonadecan-6-yl)pyrrolidine

1-(18-methylnonadecan-6-yl)pyrrolidine (PubChem CID 69395042) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is 1-(18-methylnonadecan-6-yl)pyrrolidine.

Molecular Properties

Compound Name1-(18-methylnonadecan-6-yl)pyrrolidine
PubChem CID69395042
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name1-(18-methylnonadecan-6-yl)pyrrolidine
SMILESCCCCCC(CCCCCCCCCCCC(C)C)N1CCCC1
InChIInChI=1S/C24H49N/c1-4-5-13-19-24(25-21-16-17-22-25)20-15-12-10-8-6-7-9-11-14-18-23(2)3/h23-24H,4-22H2,1-3H3
InChIKeyPUBOALWMUHRTEQ-UHFFFAOYSA-N
XLogP7.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 57.98
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-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-decan-3-ylpiperidine
CID 68984931
1-decan-4-ylpiperidine
CID 142178259
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-octadecan-4-ylaziridine
CID 87223215
2-(azocan-1-yl)nonan-1-amine
CID 43130470
1-dodecan-2-ylpyrrolidine
CID 70871228
1-octan-4-ylazonane
CID 123427772
methane;1-octan-4-ylpiperidine
CID 143122058
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of 1-(18-methylnonadecan-6-yl)pyrrolidine?
The IUPAC name of 1-(18-methylnonadecan-6-yl)pyrrolidine (CID 69395042) is 1-(18-methylnonadecan-6-yl)pyrrolidine.
What is the SMILES notation for 1-(18-methylnonadecan-6-yl)pyrrolidine?
The canonical SMILES for 1-(18-methylnonadecan-6-yl)pyrrolidine is CCCCCC(CCCCCCCCCCCC(C)C)N1CCCC1.
What is the InChIKey of 1-(18-methylnonadecan-6-yl)pyrrolidine?
The InChIKey is PUBOALWMUHRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N/c1-4-5-13-19-24(25-21-16-17-22-25)20-15-12-10-8-6-7-9-11-14-18-23(2)3/h23-24H,4-22H2,1-3H3.
What are the key properties of 1-(18-methylnonadecan-6-yl)pyrrolidine?
1-(18-methylnonadecan-6-yl)pyrrolidine has a molecular weight of 351.66 g/mol, XLogP of 7.98, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18-methylnonadecan-6-yl)pyrrolidine is sourced from PubChem (CID 69395042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).