N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine

C11H16N2S — CID 19771687

IUPACN-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC(NC1=NCCC1)c1cccs1
InChIInChI=1S/C11H16N2S/c1-2-9(10-5-4-8-14-10)13-11-6-3-7-12-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyNTGRPTSGPHBFDM-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.98
Rot. Bonds3

About N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 19771687) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID19771687
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCC(NC1=NCCC1)c1cccs1
InChIInChI=1S/C11H16N2S/c1-2-9(10-5-4-8-14-10)13-11-6-3-7-12-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyNTGRPTSGPHBFDM-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 19771687) is N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine is CCC(NC1=NCCC1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NTGRPTSGPHBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-9(10-5-4-8-14-10)13-11-6-3-7-12-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 208.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 19771687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).