1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole

C20H37N — CID 146376804

IUPAC1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole
SMILESCCCCCCC(C)(CCCCC)c1c(C)cc(C)n1C
InChIInChI=1S/C20H37N/c1-7-9-11-13-15-20(5,14-12-10-8-2)19-17(3)16-18(4)21(19)6/h16H,7-15H2,1-6H3
InChIKeyZSKXHPHWYIUNHC-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.45
Rot. Bonds10

About 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole

1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole (PubChem CID 146376804) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole
PubChem CID146376804
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole
SMILESCCCCCCC(C)(CCCCC)c1c(C)cc(C)n1C
InChIInChI=1S/C20H37N/c1-7-9-11-13-15-20(5,14-12-10-8-2)19-17(3)16-18(4)21(19)6/h16H,7-15H2,1-6H3
InChIKeyZSKXHPHWYIUNHC-UHFFFAOYSA-N
XLogP6.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.45
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

3,4-difluoro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377449
2-iodo-1-methyl-5-(6-methyldodecan-6-yl)pyrrole
CID 146377615
3-fluoro-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377789
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
4-chloro-1-methyl-2-(6-methyldodecan-6-yl)pyrrole
CID 146377588
2-chloro-1-methyl-4-(6-methyldodecan-6-yl)pyrrole
CID 146378002
1-bromo-3-methyl-2-(5-methylundecan-5-yl)benzene
CID 146636965
3-iodo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377917
3-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377948
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
3-chloro-4-methyl-5-(6-methyldodecan-6-yl)-1,2,4-triazole
CID 146377759

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole?
The IUPAC name of 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole (CID 146376804) is 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole.
What is the SMILES notation for 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole?
The canonical SMILES for 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole is CCCCCCC(C)(CCCCC)c1c(C)cc(C)n1C.
What is the InChIKey of 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole?
The InChIKey is ZSKXHPHWYIUNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-7-9-11-13-15-20(5,14-12-10-8-2)19-17(3)16-18(4)21(19)6/h16H,7-15H2,1-6H3.
What are the key properties of 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole?
1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole has a molecular weight of 291.52 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(6-methyldodecan-6-yl)pyrrole is sourced from PubChem (CID 146376804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).