1-(1-pentylpyrrol-3-yl)propan-2-amine

C12H22N2 — CID 14739643

IUPAC1-(1-pentylpyrrol-3-yl)propan-2-amine
SMILESCCCCCn1ccc(CC(C)N)c1
InChIInChI=1S/C12H22N2/c1-3-4-5-7-14-8-6-12(10-14)9-11(2)13/h6,8,10-11H,3-5,7,9,13H2,1-2H3
InChIKeyJCHKRWQBWWKURV-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.57
Rot. Bonds6

About 1-(1-pentylpyrrol-3-yl)propan-2-amine

1-(1-pentylpyrrol-3-yl)propan-2-amine (PubChem CID 14739643) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(1-pentylpyrrol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-pentylpyrrol-3-yl)propan-2-amine
PubChem CID14739643
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(1-pentylpyrrol-3-yl)propan-2-amine
SMILESCCCCCn1ccc(CC(C)N)c1
InChIInChI=1S/C12H22N2/c1-3-4-5-7-14-8-6-12(10-14)9-11(2)13/h6,8,10-11H,3-5,7,9,13H2,1-2H3
InChIKeyJCHKRWQBWWKURV-UHFFFAOYSA-N
XLogP2.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylpyrrol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-pentylpyrrol-3-yl)propan-2-amine (CID 14739643) is 1-(1-pentylpyrrol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-pentylpyrrol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-pentylpyrrol-3-yl)propan-2-amine is CCCCCn1ccc(CC(C)N)c1.
What is the InChIKey of 1-(1-pentylpyrrol-3-yl)propan-2-amine?
The InChIKey is JCHKRWQBWWKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-5-7-14-8-6-12(10-14)9-11(2)13/h6,8,10-11H,3-5,7,9,13H2,1-2H3.
What are the key properties of 1-(1-pentylpyrrol-3-yl)propan-2-amine?
1-(1-pentylpyrrol-3-yl)propan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylpyrrol-3-yl)propan-2-amine is sourced from PubChem (CID 14739643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).