1-(1-hexylpyrrol-2-yl)propan-2-amine

C13H24N2 — CID 66406274

IUPAC1-(1-hexylpyrrol-2-yl)propan-2-amine
SMILESCCCCCCn1cccc1CC(C)N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-9-15-10-7-8-13(15)11-12(2)14/h7-8,10,12H,3-6,9,11,14H2,1-2H3
InChIKeyXXKXXTNZTFTTHW-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.96
Rot. Bonds7

About 1-(1-hexylpyrrol-2-yl)propan-2-amine

1-(1-hexylpyrrol-2-yl)propan-2-amine (PubChem CID 66406274) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(1-hexylpyrrol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-hexylpyrrol-2-yl)propan-2-amine
PubChem CID66406274
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(1-hexylpyrrol-2-yl)propan-2-amine
SMILESCCCCCCn1cccc1CC(C)N
InChIInChI=1S/C13H24N2/c1-3-4-5-6-9-15-10-7-8-13(15)11-12(2)14/h7-8,10,12H,3-6,9,11,14H2,1-2H3
InChIKeyXXKXXTNZTFTTHW-UHFFFAOYSA-N
XLogP2.96
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
CID 115518326
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
1-[1-(2-ethoxyethyl)pyrrol-2-yl]propan-2-amine
CID 66406679
1-pentylpyrrol-2-amine
CID 68716148
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]propan-2-amine
CID 66404862

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexylpyrrol-2-yl)propan-2-amine?
The IUPAC name of 1-(1-hexylpyrrol-2-yl)propan-2-amine (CID 66406274) is 1-(1-hexylpyrrol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1-hexylpyrrol-2-yl)propan-2-amine?
The canonical SMILES for 1-(1-hexylpyrrol-2-yl)propan-2-amine is CCCCCCn1cccc1CC(C)N.
What is the InChIKey of 1-(1-hexylpyrrol-2-yl)propan-2-amine?
The InChIKey is XXKXXTNZTFTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-4-5-6-9-15-10-7-8-13(15)11-12(2)14/h7-8,10,12H,3-6,9,11,14H2,1-2H3.
What are the key properties of 1-(1-hexylpyrrol-2-yl)propan-2-amine?
1-(1-hexylpyrrol-2-yl)propan-2-amine has a molecular weight of 208.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexylpyrrol-2-yl)propan-2-amine is sourced from PubChem (CID 66406274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).