3,4-dimethyl-1H-pyrrol-2-amine

C6H10N2 — CID 20652765

IUPAC3,4-dimethyl-1H-pyrrol-2-amine
SMILESCc1c[nH]c(N)c1C
InChIInChI=1S/C6H10N2/c1-4-3-8-6(7)5(4)2/h3,8H,7H2,1-2H3
InChIKeyUMTZVLJISSMAPK-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.21
Rot. Bonds

About 3,4-dimethyl-1H-pyrrol-2-amine

3,4-dimethyl-1H-pyrrol-2-amine (PubChem CID 20652765) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dimethyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3,4-dimethyl-1H-pyrrol-2-amine
PubChem CID20652765
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dimethyl-1H-pyrrol-2-amine
SMILESCc1c[nH]c(N)c1C
InChIInChI=1S/C6H10N2/c1-4-3-8-6(7)5(4)2/h3,8H,7H2,1-2H3
InChIKeyUMTZVLJISSMAPK-UHFFFAOYSA-N
XLogP1.21
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-pyrrol-2-amine?
The IUPAC name of 3,4-dimethyl-1H-pyrrol-2-amine (CID 20652765) is 3,4-dimethyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3,4-dimethyl-1H-pyrrol-2-amine?
The canonical SMILES for 3,4-dimethyl-1H-pyrrol-2-amine is Cc1c[nH]c(N)c1C.
What is the InChIKey of 3,4-dimethyl-1H-pyrrol-2-amine?
The InChIKey is UMTZVLJISSMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-3-8-6(7)5(4)2/h3,8H,7H2,1-2H3.
What are the key properties of 3,4-dimethyl-1H-pyrrol-2-amine?
3,4-dimethyl-1H-pyrrol-2-amine has a molecular weight of 110.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-pyrrol-2-amine is sourced from PubChem (CID 20652765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).