2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole

C20H37N — CID 57138741

IUPAC2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
SMILESCCCC1(C(CCC(C)(C)C)CCC(C)(C)C)C=CC=N1
InChIInChI=1S/C20H37N/c1-8-12-20(13-9-16-21-20)17(10-14-18(2,3)4)11-15-19(5,6)7/h9,13,16-17H,8,10-12,14-15H2,1-7H3
InChIKeyJDRDREXOMPVHRW-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.43
Rot. Bonds7

About 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole

2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole (PubChem CID 57138741) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole.

Molecular Properties

Compound Name2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
PubChem CID57138741
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
SMILESCCCC1(C(CCC(C)(C)C)CCC(C)(C)C)C=CC=N1
InChIInChI=1S/C20H37N/c1-8-12-20(13-9-16-21-20)17(10-14-18(2,3)4)11-15-19(5,6)7/h9,13,16-17H,8,10-12,14-15H2,1-7H3
InChIKeyJDRDREXOMPVHRW-UHFFFAOYSA-N
XLogP6.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
1-(2-Dec-2-enylpyrrol-2-yl)cycloheptane-1-carbonitrile
CID 57199609
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629
5-(2-Methylpyrrol-2-yl)-2-propan-2-ylheptanenitrile
CID 57259313
2-Propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
CID 57272584
2-But-2-ynyl-2-hexylpyrrole
CID 57311069

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole?
The IUPAC name of 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole (CID 57138741) is 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole.
What is the SMILES notation for 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole?
The canonical SMILES for 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole is CCCC1(C(CCC(C)(C)C)CCC(C)(C)C)C=CC=N1.
What is the InChIKey of 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole?
The InChIKey is JDRDREXOMPVHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-8-12-20(13-9-16-21-20)17(10-14-18(2,3)4)11-15-19(5,6)7/h9,13,16-17H,8,10-12,14-15H2,1-7H3.
What are the key properties of 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole?
2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole has a molecular weight of 291.52 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole is sourced from PubChem (CID 57138741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).