2-hexan-2-yl-2-propylpyrrole

C13H23N — CID 91263132

IUPAC2-hexan-2-yl-2-propylpyrrole
SMILESCCCCC(C)C1(CCC)C=CC=N1
InChIInChI=1S/C13H23N/c1-4-6-8-12(3)13(9-5-2)10-7-11-14-13/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyNSSRDSLJIIXGRD-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds6

About 2-hexan-2-yl-2-propylpyrrole

2-hexan-2-yl-2-propylpyrrole (PubChem CID 91263132) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-hexan-2-yl-2-propylpyrrole.

Molecular Properties

Compound Name2-hexan-2-yl-2-propylpyrrole
PubChem CID91263132
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-hexan-2-yl-2-propylpyrrole
SMILESCCCCC(C)C1(CCC)C=CC=N1
InChIInChI=1S/C13H23N/c1-4-6-8-12(3)13(9-5-2)10-7-11-14-13/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyNSSRDSLJIIXGRD-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanespiropyrrole
CID 129871589
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
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
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
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465

Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-2-propylpyrrole?
The IUPAC name of 2-hexan-2-yl-2-propylpyrrole (CID 91263132) is 2-hexan-2-yl-2-propylpyrrole.
What is the SMILES notation for 2-hexan-2-yl-2-propylpyrrole?
The canonical SMILES for 2-hexan-2-yl-2-propylpyrrole is CCCCC(C)C1(CCC)C=CC=N1.
What is the InChIKey of 2-hexan-2-yl-2-propylpyrrole?
The InChIKey is NSSRDSLJIIXGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-8-12(3)13(9-5-2)10-7-11-14-13/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of 2-hexan-2-yl-2-propylpyrrole?
2-hexan-2-yl-2-propylpyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-2-propylpyrrole is sourced from PubChem (CID 91263132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).