N-ethyl-1-methylpyrrol-2-amine

C7H12N2 — CID 18543127

IUPACN-ethyl-1-methylpyrrol-2-amine
SMILESCCNc1cccn1C
InChIInChI=1S/C7H12N2/c1-3-8-7-5-4-6-9(7)2/h4-6,8H,3H2,1-2H3
InChIKeyKTSFULCMXNBBQV-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.46
Rot. Bonds2

About N-ethyl-1-methylpyrrol-2-amine

N-ethyl-1-methylpyrrol-2-amine (PubChem CID 18543127) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethyl-1-methylpyrrol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methylpyrrol-2-amine
PubChem CID18543127
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethyl-1-methylpyrrol-2-amine
SMILESCCNc1cccn1C
InChIInChI=1S/C7H12N2/c1-3-8-7-5-4-6-9(7)2/h4-6,8H,3H2,1-2H3
InChIKeyKTSFULCMXNBBQV-UHFFFAOYSA-N
XLogP1.46
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylpyrrol-2-amine?
The IUPAC name of N-ethyl-1-methylpyrrol-2-amine (CID 18543127) is N-ethyl-1-methylpyrrol-2-amine.
What is the SMILES notation for N-ethyl-1-methylpyrrol-2-amine?
The canonical SMILES for N-ethyl-1-methylpyrrol-2-amine is CCNc1cccn1C.
What is the InChIKey of N-ethyl-1-methylpyrrol-2-amine?
The InChIKey is KTSFULCMXNBBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-8-7-5-4-6-9(7)2/h4-6,8H,3H2,1-2H3.
What are the key properties of N-ethyl-1-methylpyrrol-2-amine?
N-ethyl-1-methylpyrrol-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylpyrrol-2-amine is sourced from PubChem (CID 18543127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).