N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C17H22N2 — CID 103527697

IUPACN-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCCn1ccc(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H22N2/c1-2-8-19-9-7-14(13-19)12-18-17-10-15-5-3-4-6-16(15)11-17/h3-7,9,13,17-18H,2,8,10-12H2,1H3
InChIKeyPGPSJYFDGXYPGW-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.16
Rot. Bonds5

About N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine

N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 103527697) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID103527697
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCCCn1ccc(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H22N2/c1-2-8-19-9-7-14(13-19)12-18-17-10-15-5-3-4-6-16(15)11-17/h3-7,9,13,17-18H,2,8,10-12H2,1H3
InChIKeyPGPSJYFDGXYPGW-UHFFFAOYSA-N
XLogP3.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-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-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 103527697) is N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is CCCn1ccc(CNC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PGPSJYFDGXYPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-8-19-9-7-14(13-19)12-18-17-10-15-5-3-4-6-16(15)11-17/h3-7,9,13,17-18H,2,8,10-12H2,1H3.
What are the key properties of N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103527697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).