N-propylpyrrol-1-amine

C7H12N2 — CID 15136434

IUPACN-propylpyrrol-1-amine
SMILESCCCNn1cccc1
InChIInChI=1S/C7H12N2/c1-2-5-8-9-6-3-4-7-9/h3-4,6-8H,2,5H2,1H3
InChIKeyGVWNOESOIDSHMC-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.44
Rot. Bonds3

About N-propylpyrrol-1-amine

N-propylpyrrol-1-amine (PubChem CID 15136434) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-propylpyrrol-1-amine.

Molecular Properties

Compound NameN-propylpyrrol-1-amine
PubChem CID15136434
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-propylpyrrol-1-amine
SMILESCCCNn1cccc1
InChIInChI=1S/C7H12N2/c1-2-5-8-9-6-3-4-7-9/h3-4,6-8H,2,5H2,1H3
InChIKeyGVWNOESOIDSHMC-UHFFFAOYSA-N
XLogP1.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propylpyrrol-1-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-propylpyrrol-1-amine?
The IUPAC name of N-propylpyrrol-1-amine (CID 15136434) is N-propylpyrrol-1-amine.
What is the SMILES notation for N-propylpyrrol-1-amine?
The canonical SMILES for N-propylpyrrol-1-amine is CCCNn1cccc1.
What is the InChIKey of N-propylpyrrol-1-amine?
The InChIKey is GVWNOESOIDSHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-5-8-9-6-3-4-7-9/h3-4,6-8H,2,5H2,1H3.
What are the key properties of N-propylpyrrol-1-amine?
N-propylpyrrol-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpyrrol-1-amine is sourced from PubChem (CID 15136434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).