N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

C10H13N3 — CID 69432817

IUPACN-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESCCN(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C10H13N3/c1-2-13(9-5-3-7-11-9)10-6-4-8-12-10/h3-8,11-12H,2H2,1H3
InChIKeyGCSBMOMPPVUBBG-UHFFFAOYSA-N
MW175.24 g/mol
LogP2.50
Rot. Bonds3

About N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (PubChem CID 69432817) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
PubChem CID69432817
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESCCN(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C10H13N3/c1-2-13(9-5-3-7-11-9)10-6-4-8-12-10/h3-8,11-12H,2H2,1H3
InChIKeyGCSBMOMPPVUBBG-UHFFFAOYSA-N
XLogP2.50
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The IUPAC name of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (CID 69432817) is N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The canonical SMILES for N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is CCN(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The InChIKey is GCSBMOMPPVUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-13(9-5-3-7-11-9)10-6-4-8-12-10/h3-8,11-12H,2H2,1H3.
What are the key properties of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine has a molecular weight of 175.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 69432817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).