2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole

C18H33N — CID 57023728

IUPAC2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole
SMILESCCCC1(C(CCC(C)C)C(CC)CC)C=CC=N1
InChIInChI=1S/C18H33N/c1-6-12-18(13-9-14-19-18)17(11-10-15(4)5)16(7-2)8-3/h9,13-17H,6-8,10-12H2,1-5H3
InChIKeyBMPXFWCROCDJAM-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.65
Rot. Bonds9

About 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole

2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole (PubChem CID 57023728) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole.

Molecular Properties

Compound Name2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole
PubChem CID57023728
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole
SMILESCCCC1(C(CCC(C)C)C(CC)CC)C=CC=N1
InChIInChI=1S/C18H33N/c1-6-12-18(13-9-14-19-18)17(11-10-15(4)5)16(7-2)8-3/h9,13-17H,6-8,10-12H2,1-5H3
InChIKeyBMPXFWCROCDJAM-UHFFFAOYSA-N
XLogP5.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
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-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole?
The IUPAC name of 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole (CID 57023728) is 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole.
What is the SMILES notation for 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole?
The canonical SMILES for 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole is CCCC1(C(CCC(C)C)C(CC)CC)C=CC=N1.
What is the InChIKey of 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole?
The InChIKey is BMPXFWCROCDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-6-12-18(13-9-14-19-18)17(11-10-15(4)5)16(7-2)8-3/h9,13-17H,6-8,10-12H2,1-5H3.
What are the key properties of 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole?
2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole has a molecular weight of 263.47 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-methyloctan-4-yl)-2-propylpyrrole is sourced from PubChem (CID 57023728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).