N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine

C11H19N3 — CID 79100377

IUPACN-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine
SMILESCc1ccc(C)n1NC1CCCNC1
InChIInChI=1S/C11H19N3/c1-9-5-6-10(2)14(9)13-11-4-3-7-12-8-11/h5-6,11-13H,3-4,7-8H2,1-2H3
InChIKeyQPDKTOPKKGEMMM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.40
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine

N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine (PubChem CID 79100377) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine
PubChem CID79100377
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine
SMILESCc1ccc(C)n1NC1CCCNC1
InChIInChI=1S/C11H19N3/c1-9-5-6-10(2)14(9)13-11-4-3-7-12-8-11/h5-6,11-13H,3-4,7-8H2,1-2H3
InChIKeyQPDKTOPKKGEMMM-UHFFFAOYSA-N
XLogP1.40
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine (CID 79100377) is N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine is Cc1ccc(C)n1NC1CCCNC1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine?
The InChIKey is QPDKTOPKKGEMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-5-6-10(2)14(9)13-11-4-3-7-12-8-11/h5-6,11-13H,3-4,7-8H2,1-2H3.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine?
N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)piperidin-3-amine is sourced from PubChem (CID 79100377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).