2-hexan-3-yl-2-pentylpyrrole

C15H27N — CID 57206465

IUPAC2-hexan-3-yl-2-pentylpyrrole
SMILESCCCCCC1(C(CC)CCC)C=CC=N1
InChIInChI=1S/C15H27N/c1-4-7-8-11-15(12-9-13-16-15)14(6-3)10-5-2/h9,12-14H,4-8,10-11H2,1-3H3
InChIKeyAWELTWGPVJBFNE-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.77
Rot. Bonds8

About 2-hexan-3-yl-2-pentylpyrrole

2-hexan-3-yl-2-pentylpyrrole (PubChem CID 57206465) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-hexan-3-yl-2-pentylpyrrole.

Molecular Properties

Compound Name2-hexan-3-yl-2-pentylpyrrole
PubChem CID57206465
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-hexan-3-yl-2-pentylpyrrole
SMILESCCCCCC1(C(CC)CCC)C=CC=N1
InChIInChI=1S/C15H27N/c1-4-7-8-11-15(12-9-13-16-15)14(6-3)10-5-2/h9,12-14H,4-8,10-11H2,1-3H3
InChIKeyAWELTWGPVJBFNE-UHFFFAOYSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.77
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

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-(2,8-Dimethylnonan-5-yl)-2-propylpyrrole
CID 57206629

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-2-pentylpyrrole?
The IUPAC name of 2-hexan-3-yl-2-pentylpyrrole (CID 57206465) is 2-hexan-3-yl-2-pentylpyrrole.
What is the SMILES notation for 2-hexan-3-yl-2-pentylpyrrole?
The canonical SMILES for 2-hexan-3-yl-2-pentylpyrrole is CCCCCC1(C(CC)CCC)C=CC=N1.
What is the InChIKey of 2-hexan-3-yl-2-pentylpyrrole?
The InChIKey is AWELTWGPVJBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-7-8-11-15(12-9-13-16-15)14(6-3)10-5-2/h9,12-14H,4-8,10-11H2,1-3H3.
What are the key properties of 2-hexan-3-yl-2-pentylpyrrole?
2-hexan-3-yl-2-pentylpyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-2-pentylpyrrole is sourced from PubChem (CID 57206465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).