1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine

C11H18N2 — CID 84656686

IUPAC1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine
SMILESCc1ccc(C)n1CCC1(N)CC1
InChIInChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)8-7-11(12)5-6-11/h3-4H,5-8,12H2,1-2H3
InChIKeyTXDOCIDWGDUDQY-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine

1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine (PubChem CID 84656686) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine
PubChem CID84656686
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine
SMILESCc1ccc(C)n1CCC1(N)CC1
InChIInChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)8-7-11(12)5-6-11/h3-4H,5-8,12H2,1-2H3
InChIKeyTXDOCIDWGDUDQY-UHFFFAOYSA-N
XLogP1.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine (CID 84656686) is 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine is Cc1ccc(C)n1CCC1(N)CC1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine?
The InChIKey is TXDOCIDWGDUDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-3-4-10(2)13(9)8-7-11(12)5-6-11/h3-4H,5-8,12H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine?
1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 84656686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).