2,5-dimethyl-2,5-dihydropyrrol-1-amine

C6H12N2 — CID 137466749

IUPAC2,5-dimethyl-2,5-dihydropyrrol-1-amine
SMILESCC1C=CC(C)N1N
InChIInChI=1S/C6H12N2/c1-5-3-4-6(2)8(5)7/h3-6H,7H2,1-2H3
InChIKeyAZEAVBBDDXRQGZ-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.51
Rot. Bonds

About 2,5-dimethyl-2,5-dihydropyrrol-1-amine

2,5-dimethyl-2,5-dihydropyrrol-1-amine (PubChem CID 137466749) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-dihydropyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-2,5-dihydropyrrol-1-amine
PubChem CID137466749
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,5-dimethyl-2,5-dihydropyrrol-1-amine
SMILESCC1C=CC(C)N1N
InChIInChI=1S/C6H12N2/c1-5-3-4-6(2)8(5)7/h3-6H,7H2,1-2H3
InChIKeyAZEAVBBDDXRQGZ-UHFFFAOYSA-N
XLogP0.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-dihydropyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-2,5-dihydropyrrol-1-amine (CID 137466749) is 2,5-dimethyl-2,5-dihydropyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-2,5-dihydropyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-2,5-dihydropyrrol-1-amine is CC1C=CC(C)N1N.
What is the InChIKey of 2,5-dimethyl-2,5-dihydropyrrol-1-amine?
The InChIKey is AZEAVBBDDXRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-4-6(2)8(5)7/h3-6H,7H2,1-2H3.
What are the key properties of 2,5-dimethyl-2,5-dihydropyrrol-1-amine?
2,5-dimethyl-2,5-dihydropyrrol-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-dihydropyrrol-1-amine is sourced from PubChem (CID 137466749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).