2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole

C19H35N — CID 57272584

IUPAC2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
SMILESCCCC1(C(CCC(C)C)C(C)C(C)CC)C=CC=N1
InChIInChI=1S/C19H35N/c1-7-12-19(13-9-14-20-19)18(11-10-15(3)4)17(6)16(5)8-2/h9,13-18H,7-8,10-12H2,1-6H3
InChIKeyXALXEWKESLFZLB-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.90
Rot. Bonds9

About 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole

2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole (PubChem CID 57272584) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole.

Molecular Properties

Compound Name2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
PubChem CID57272584
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole
SMILESCCCC1(C(CCC(C)C)C(C)C(C)CC)C=CC=N1
InChIInChI=1S/C19H35N/c1-7-12-19(13-9-14-20-19)18(11-10-15(3)4)17(6)16(5)8-2/h9,13-18H,7-8,10-12H2,1-6H3
InChIKeyXALXEWKESLFZLB-UHFFFAOYSA-N
XLogP5.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.90
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
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-(2,8-Dimethylnonan-5-yl)-2-pentylpyrrole
CID 57136239

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole?
The IUPAC name of 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole (CID 57272584) is 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole.
What is the SMILES notation for 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole?
The canonical SMILES for 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole is CCCC1(C(CCC(C)C)C(C)C(C)CC)C=CC=N1.
What is the InChIKey of 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole?
The InChIKey is XALXEWKESLFZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-7-12-19(13-9-14-20-19)18(11-10-15(3)4)17(6)16(5)8-2/h9,13-18H,7-8,10-12H2,1-6H3.
What are the key properties of 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole?
2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole has a molecular weight of 277.50 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2,6,7-trimethylnonan-5-yl)pyrrole is sourced from PubChem (CID 57272584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).