N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine

C17H22N2 — CID 21491580

IUPACN-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine
SMILESCNCCCn1c(-c2ccccc2)cc2c1CCC2
InChIInChI=1S/C17H22N2/c1-18-11-6-12-19-16-10-5-9-15(16)13-17(19)14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3
InChIKeyLHXCYSLXGFHAJA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine

N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine (PubChem CID 21491580) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine
PubChem CID21491580
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine
SMILESCNCCCn1c(-c2ccccc2)cc2c1CCC2
InChIInChI=1S/C17H22N2/c1-18-11-6-12-19-16-10-5-9-15(16)13-17(19)14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3
InChIKeyLHXCYSLXGFHAJA-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine (CID 21491580) is N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine is CNCCCn1c(-c2ccccc2)cc2c1CCC2.
What is the InChIKey of N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine?
The InChIKey is LHXCYSLXGFHAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-18-11-6-12-19-16-10-5-9-15(16)13-17(19)14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3.
What are the key properties of N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine?
N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine is sourced from PubChem (CID 21491580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).