2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole

C17H31N — CID 57120345

IUPAC2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole
SMILESCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1
InChIInChI=1S/C17H31N/c1-6-17(12-7-13-18-17)16(10-8-14(2)3)11-9-15(4)5/h7,12-16H,6,8-11H2,1-5H3
InChIKeyQDZQFNVQESAJQM-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.26
Rot. Bonds8

About 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole

2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole (PubChem CID 57120345) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole.

Molecular Properties

Compound Name2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole
PubChem CID57120345
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole
SMILESCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1
InChIInChI=1S/C17H31N/c1-6-17(12-7-13-18-17)16(10-8-14(2)3)11-9-15(4)5/h7,12-16H,6,8-11H2,1-5H3
InChIKeyQDZQFNVQESAJQM-UHFFFAOYSA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
6-(2-Hexylpyrrol-2-yl)hexan-1-amine
CID 57022325
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-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole?
The IUPAC name of 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole (CID 57120345) is 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole.
What is the SMILES notation for 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole?
The canonical SMILES for 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole is CCC1(C(CCC(C)C)CCC(C)C)C=CC=N1.
What is the InChIKey of 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole?
The InChIKey is QDZQFNVQESAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-6-17(12-7-13-18-17)16(10-8-14(2)3)11-9-15(4)5/h7,12-16H,6,8-11H2,1-5H3.
What are the key properties of 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole?
2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole has a molecular weight of 249.44 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylnonan-5-yl)-2-ethylpyrrole is sourced from PubChem (CID 57120345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).