N-ethyl-3-methyl-1H-pyrrol-2-amine

C7H12N2 — CID 22408306

IUPACN-ethyl-3-methyl-1H-pyrrol-2-amine
SMILESCCNc1[nH]ccc1C
InChIInChI=1S/C7H12N2/c1-3-8-7-6(2)4-5-9-7/h4-5,8-9H,3H2,1-2H3
InChIKeyCLKGMFIRJMPVEF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.75
Rot. Bonds2

About N-ethyl-3-methyl-1H-pyrrol-2-amine

N-ethyl-3-methyl-1H-pyrrol-2-amine (PubChem CID 22408306) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethyl-3-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1H-pyrrol-2-amine
PubChem CID22408306
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethyl-3-methyl-1H-pyrrol-2-amine
SMILESCCNc1[nH]ccc1C
InChIInChI=1S/C7H12N2/c1-3-8-7-6(2)4-5-9-7/h4-5,8-9H,3H2,1-2H3
InChIKeyCLKGMFIRJMPVEF-UHFFFAOYSA-N
XLogP1.75
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1H-pyrrol-2-amine?
The IUPAC name of N-ethyl-3-methyl-1H-pyrrol-2-amine (CID 22408306) is N-ethyl-3-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1H-pyrrol-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1H-pyrrol-2-amine is CCNc1[nH]ccc1C.
What is the InChIKey of N-ethyl-3-methyl-1H-pyrrol-2-amine?
The InChIKey is CLKGMFIRJMPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-8-7-6(2)4-5-9-7/h4-5,8-9H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-1H-pyrrol-2-amine?
N-ethyl-3-methyl-1H-pyrrol-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 22408306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).