3-ethyl-2H-pyrrol-4-amine

C6H10N2 — CID 159163766

IUPAC3-ethyl-2H-pyrrol-4-amine
SMILESCCC1=C(N)C=NC1
InChIInChI=1S/C6H10N2/c1-2-5-3-8-4-6(5)7/h4H,2-3,7H2,1H3
InChIKeyDAYSRWQRAXAMML-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

About 3-ethyl-2H-pyrrol-4-amine

3-ethyl-2H-pyrrol-4-amine (PubChem CID 159163766) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethyl-2H-pyrrol-4-amine.

Molecular Properties

Compound Name3-ethyl-2H-pyrrol-4-amine
PubChem CID159163766
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-ethyl-2H-pyrrol-4-amine
SMILESCCC1=C(N)C=NC1
InChIInChI=1S/C6H10N2/c1-2-5-3-8-4-6(5)7/h4H,2-3,7H2,1H3
InChIKeyDAYSRWQRAXAMML-UHFFFAOYSA-N
XLogP0.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trimethyl-2H-pyrrol-1-ium-4-amine
CID 18723566
(Z)-3-methanimidoylpent-2-en-2-amine
CID 89003598
(Z)-4-methanimidoylhex-3-en-3-amine
CID 89326848
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
(Z)-1-imino-2-methylpent-2-en-3-amine
CID 143137947
(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine
CID 144912796
(Z)-3-(methyliminomethyl)pent-2-en-2-amine
CID 146215270
(Z)-3-methanimidoylpent-3-ene-1,4-diamine
CID 146259093
3-(Methyliminomethyl)pent-2-en-2-amine
CID 149255641
3-Methyl-1-propan-2-yliminopent-2-en-2-amine
CID 151174112
ethane;(Z)-3-(methyliminomethyl)pent-2-en-2-amine
CID 153364345
carbon dioxide;3-ethyl-2H-pyrrol-4-amine
CID 159163765

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-pyrrol-4-amine?
The IUPAC name of 3-ethyl-2H-pyrrol-4-amine (CID 159163766) is 3-ethyl-2H-pyrrol-4-amine.
What is the SMILES notation for 3-ethyl-2H-pyrrol-4-amine?
The canonical SMILES for 3-ethyl-2H-pyrrol-4-amine is CCC1=C(N)C=NC1.
What is the InChIKey of 3-ethyl-2H-pyrrol-4-amine?
The InChIKey is DAYSRWQRAXAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-5-3-8-4-6(5)7/h4H,2-3,7H2,1H3.
What are the key properties of 3-ethyl-2H-pyrrol-4-amine?
3-ethyl-2H-pyrrol-4-amine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-pyrrol-4-amine is sourced from PubChem (CID 159163766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).