3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine

C8H14N2 — CID 167021272

IUPAC3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine
SMILESC=C1C=C(CC)CN1NC
InChIInChI=1S/C8H14N2/c1-4-8-5-7(2)10(6-8)9-3/h5,9H,2,4,6H2,1,3H3
InChIKeyCIJLLHVXKVNFRR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds2

About 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine

3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine (PubChem CID 167021272) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine
PubChem CID167021272
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine
SMILESC=C1C=C(CC)CN1NC
InChIInChI=1S/C8H14N2/c1-4-8-5-7(2)10(6-8)9-3/h5,9H,2,4,6H2,1,3H3
InChIKeyCIJLLHVXKVNFRR-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine?
The IUPAC name of 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine (CID 167021272) is 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine is C=C1C=C(CC)CN1NC.
What is the InChIKey of 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine?
The InChIKey is CIJLLHVXKVNFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8-5-7(2)10(6-8)9-3/h5,9H,2,4,6H2,1,3H3.
What are the key properties of 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine?
3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-5-methylidene-2H-pyrrol-1-amine is sourced from PubChem (CID 167021272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).