3-(7-methyltridecan-7-yl)-3H-pyrrole

C18H33N — CID 146324054

IUPAC3-(7-methyltridecan-7-yl)-3H-pyrrole
SMILESCCCCCCC(C)(CCCCCC)C1C=CN=C1
InChIInChI=1S/C18H33N/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-16-17/h12,15-17H,4-11,13-14H2,1-3H3
InChIKeyYGTKWZAXEDGDBM-UHFFFAOYSA-N
MW263.47 g/mol
LogP6.15
Rot. Bonds11

About 3-(7-methyltridecan-7-yl)-3H-pyrrole

3-(7-methyltridecan-7-yl)-3H-pyrrole (PubChem CID 146324054) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 3-(7-methyltridecan-7-yl)-3H-pyrrole.

Molecular Properties

Compound Name3-(7-methyltridecan-7-yl)-3H-pyrrole
PubChem CID146324054
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name3-(7-methyltridecan-7-yl)-3H-pyrrole
SMILESCCCCCCC(C)(CCCCCC)C1C=CN=C1
InChIInChI=1S/C18H33N/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-16-17/h12,15-17H,4-11,13-14H2,1-3H3
InChIKeyYGTKWZAXEDGDBM-UHFFFAOYSA-N
XLogP6.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.15
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

2-(6-methyldodecan-6-yl)-2,3-dihydro-1H-pyrrole
CID 175628097
9-bromo-9-methylhenicosane
CID 155906452
10-methyltricosane-10-diazonium
CID 151580094
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
2,2-dimethylpropane;heptane
CID 144531055
1,1,1-tribromononadecane
CID 118275809
1,1,1-tribromopentadecane
CID 118275781
(1-chloro-2-methylundecan-2-yl)cyclopropane
CID 83150328
2,2-dimethylundecane;hydrobromide
CID 172814192

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyltridecan-7-yl)-3H-pyrrole?
The IUPAC name of 3-(7-methyltridecan-7-yl)-3H-pyrrole (CID 146324054) is 3-(7-methyltridecan-7-yl)-3H-pyrrole.
What is the SMILES notation for 3-(7-methyltridecan-7-yl)-3H-pyrrole?
The canonical SMILES for 3-(7-methyltridecan-7-yl)-3H-pyrrole is CCCCCCC(C)(CCCCCC)C1C=CN=C1.
What is the InChIKey of 3-(7-methyltridecan-7-yl)-3H-pyrrole?
The InChIKey is YGTKWZAXEDGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-4-6-8-10-13-18(3,14-11-9-7-5-2)17-12-15-19-16-17/h12,15-17H,4-11,13-14H2,1-3H3.
What are the key properties of 3-(7-methyltridecan-7-yl)-3H-pyrrole?
3-(7-methyltridecan-7-yl)-3H-pyrrole has a molecular weight of 263.47 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyltridecan-7-yl)-3H-pyrrole is sourced from PubChem (CID 146324054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).