N-ethyl-2,5-dimethylpyrrol-1-amine

C8H14N2 — CID 79100158

IUPACN-ethyl-2,5-dimethylpyrrol-1-amine
SMILESCCNn1c(C)ccc1C
InChIInChI=1S/C8H14N2/c1-4-9-10-7(2)5-6-8(10)3/h5-6,9H,4H2,1-3H3
InChIKeyAGZWPMQAWLFAJU-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds2

About N-ethyl-2,5-dimethylpyrrol-1-amine

N-ethyl-2,5-dimethylpyrrol-1-amine (PubChem CID 79100158) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-ethyl-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethylpyrrol-1-amine
PubChem CID79100158
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-ethyl-2,5-dimethylpyrrol-1-amine
SMILESCCNn1c(C)ccc1C
InChIInChI=1S/C8H14N2/c1-4-9-10-7(2)5-6-8(10)3/h5-6,9H,4H2,1-3H3
InChIKeyAGZWPMQAWLFAJU-UHFFFAOYSA-N
XLogP1.67
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-ethyl-2,5-dimethylpyrrol-1-amine (CID 79100158) is N-ethyl-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-ethyl-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-ethyl-2,5-dimethylpyrrol-1-amine is CCNn1c(C)ccc1C.
What is the InChIKey of N-ethyl-2,5-dimethylpyrrol-1-amine?
The InChIKey is AGZWPMQAWLFAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-9-10-7(2)5-6-8(10)3/h5-6,9H,4H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethylpyrrol-1-amine?
N-ethyl-2,5-dimethylpyrrol-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).