2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole

C19H35N — CID 57119908

IUPAC2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
SMILESCCCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1
InChIInChI=1S/C19H35N/c1-6-7-13-19(14-8-15-20-19)18(11-9-16(2)3)12-10-17(4)5/h8,14-18H,6-7,9-13H2,1-5H3
InChIKeyDUQZIVLQXRCOBE-UHFFFAOYSA-N
MW277.50 g/mol
LogP6.04
Rot. Bonds10

About 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole

2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole (PubChem CID 57119908) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole.

Molecular Properties

Compound Name2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
PubChem CID57119908
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole
SMILESCCCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1
InChIInChI=1S/C19H35N/c1-6-7-13-19(14-8-15-20-19)18(11-9-16(2)3)12-10-17(4)5/h8,14-18H,6-7,9-13H2,1-5H3
InChIKeyDUQZIVLQXRCOBE-UHFFFAOYSA-N
XLogP6.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.04
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-(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-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole?
The IUPAC name of 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole (CID 57119908) is 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole.
What is the SMILES notation for 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole?
The canonical SMILES for 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole is CCCCC1(C(CCC(C)C)CCC(C)C)C=CC=N1.
What is the InChIKey of 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole?
The InChIKey is DUQZIVLQXRCOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-6-7-13-19(14-8-15-20-19)18(11-9-16(2)3)12-10-17(4)5/h8,14-18H,6-7,9-13H2,1-5H3.
What are the key properties of 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole?
2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole has a molecular weight of 277.50 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(2,8-dimethylnonan-5-yl)pyrrole is sourced from PubChem (CID 57119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).