1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine

C26H49N — CID 57088456

IUPAC1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine
SMILESCCCC1CCCCCC=CCCCCCCCC(N2CCCC2)CCC1
InChIInChI=1S/C26H49N/c1-2-18-25-19-13-11-9-7-5-3-4-6-8-10-12-14-21-26(22-17-20-25)27-23-15-16-24-27/h3,5,25-26H,2,4,6-24H2,1H3
InChIKeyRECDIDRNSPKMNS-UHFFFAOYSA-N
MW375.69 g/mol
LogP8.29
Rot. Bonds3

About 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine

1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine (PubChem CID 57088456) has the molecular formula C26H49N and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine
PubChem CID57088456
Molecular FormulaC26H49N
Molecular Weight375.69 g/mol
Exact Mass375.39
IUPAC Name1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine
SMILESCCCC1CCCCCC=CCCCCCCCC(N2CCCC2)CCC1
InChIInChI=1S/C26H49N/c1-2-18-25-19-13-11-9-7-5-3-4-6-8-10-12-14-21-26(22-17-20-25)27-23-15-16-24-27/h3,5,25-26H,2,4,6-24H2,1H3
InChIKeyRECDIDRNSPKMNS-UHFFFAOYSA-N
XLogP8.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.69
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
(5R,8R,8aS)-5-[(Z)-hept-4-enyl]-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10998976
Dioleylpropyl trimethylammonium chloride
CID 129829602
1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
CID 139600217
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
CID 145351260
anti-11-Aza-11-methyltricyclo[4.3.1.12,5]undec-7-ene
CID 49852256
trans-2-(5'-Hexenyl)-5-pentyl pyrrolidine
CID 129776115
2-methyl-N-methyldecahydrocyclododeca[b]-pyrrole
CID 129801330
(3R,5R,6S,8S,8aR)-3-[(1E)-hepta-1,6-dienyl]-6,8-dimethyl-5-(2-methylprop-2-enyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 134951821
N,N,4-trimethylpentadec-1-en-6-amine
CID 170848016
N,N-dimethyl-6-propylundec-7-en-4-amine
CID 170848026
N,N-dimethyl-6-propylundec-8-en-4-amine
CID 170848027

Frequently Asked Questions

What is the IUPAC name of 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine?
The IUPAC name of 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine (CID 57088456) is 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine.
What is the SMILES notation for 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine?
The canonical SMILES for 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine is CCCC1CCCCCC=CCCCCCCCC(N2CCCC2)CCC1.
What is the InChIKey of 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine?
The InChIKey is RECDIDRNSPKMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N/c1-2-18-25-19-13-11-9-7-5-3-4-6-8-10-12-14-21-26(22-17-20-25)27-23-15-16-24-27/h3,5,25-26H,2,4,6-24H2,1H3.
What are the key properties of 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine?
1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine has a molecular weight of 375.69 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-propylcyclononadec-9-en-1-yl)pyrrolidine is sourced from PubChem (CID 57088456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).