N,3,5-trimethyl-2H-pyrrol-4-amine

C7H12N2 — CID 23567631

IUPACN,3,5-trimethyl-2H-pyrrol-4-amine
SMILESCNC1=C(C)CN=C1C
InChIInChI=1S/C7H12N2/c1-5-4-9-6(2)7(5)8-3/h8H,4H2,1-3H3
InChIKeyXZASZUSTUBWRRH-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds1

About N,3,5-trimethyl-2H-pyrrol-4-amine

N,3,5-trimethyl-2H-pyrrol-4-amine (PubChem CID 23567631) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,3,5-trimethyl-2H-pyrrol-4-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2H-pyrrol-4-amine
PubChem CID23567631
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,3,5-trimethyl-2H-pyrrol-4-amine
SMILESCNC1=C(C)CN=C1C
InChIInChI=1S/C7H12N2/c1-5-4-9-6(2)7(5)8-3/h8H,4H2,1-3H3
InChIKeyXZASZUSTUBWRRH-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3,5-trimethyl-2H-pyrrol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2H-pyrrol-4-amine?
The IUPAC name of N,3,5-trimethyl-2H-pyrrol-4-amine (CID 23567631) is N,3,5-trimethyl-2H-pyrrol-4-amine.
What is the SMILES notation for N,3,5-trimethyl-2H-pyrrol-4-amine?
The canonical SMILES for N,3,5-trimethyl-2H-pyrrol-4-amine is CNC1=C(C)CN=C1C.
What is the InChIKey of N,3,5-trimethyl-2H-pyrrol-4-amine?
The InChIKey is XZASZUSTUBWRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-4-9-6(2)7(5)8-3/h8H,4H2,1-3H3.
What are the key properties of N,3,5-trimethyl-2H-pyrrol-4-amine?
N,3,5-trimethyl-2H-pyrrol-4-amine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2H-pyrrol-4-amine is sourced from PubChem (CID 23567631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).