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

C20H37N — CID 57136239

IUPAC2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole
SMILESCCCCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1
InChIInChI=1S/C20H37N/c1-6-7-8-14-20(15-9-16-21-20)19(12-10-17(2)3)13-11-18(4)5/h9,15-19H,6-8,10-14H2,1-5H3
InChIKeyUGPYTTRVBAVREJ-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.43
Rot. Bonds11

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

2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole (PubChem CID 57136239) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole.

Molecular Properties

Compound Name2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole
PubChem CID57136239
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole
SMILESCCCCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1
InChIInChI=1S/C20H37N/c1-6-7-8-14-20(15-9-16-21-20)19(12-10-17(2)3)13-11-18(4)5/h9,15-19H,6-8,10-14H2,1-5H3
InChIKeyUGPYTTRVBAVREJ-UHFFFAOYSA-N
XLogP6.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.43
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

(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
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
2,11-Di(hexan-3-yl)-1-azacyclododeca-4,8,12-triene
CID 56981493
6-(2-Hexylpyrrol-2-yl)hexan-1-amine
CID 57022325
2-(3-Ethyl-7-methyloctan-4-yl)-2-propylpyrrole
CID 57023728
11-Butyl-2-cyclopentyl-1-azacyclododeca-4,8,12-triene
CID 57061422
2-Butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
CID 57119908
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole?
The IUPAC name of 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole (CID 57136239) is 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole.
What is the SMILES notation for 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole?
The canonical SMILES for 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole is CCCCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1.
What is the InChIKey of 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole?
The InChIKey is UGPYTTRVBAVREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-6-7-8-14-20(15-9-16-21-20)19(12-10-17(2)3)13-11-18(4)5/h9,15-19H,6-8,10-14H2,1-5H3.
What are the key properties of 2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole?
2-(2,8-dimethylnonan-5-yl)-2-pentylpyrrole has a molecular weight of 291.52 g/mol, XLogP of 6.43, 11 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-pentylpyrrole is sourced from PubChem (CID 57136239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).