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

C20H24N2 — CID 19771634

IUPACN-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc(CCCC(NC2=NCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2/c1-3-9-17(10-4-1)11-7-14-19(18-12-5-2-6-13-18)22-20-15-8-16-21-20/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,22)
InChIKeyNTAHICZLRCAATO-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.53
Rot. Bonds6

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

N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 19771634) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID19771634
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc(CCCC(NC2=NCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H24N2/c1-3-9-17(10-4-1)11-7-14-19(18-12-5-2-6-13-18)22-20-15-8-16-21-20/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,22)
InChIKeyNTAHICZLRCAATO-UHFFFAOYSA-N
XLogP4.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 19771634) is N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine is c1ccc(CCCC(NC2=NCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NTAHICZLRCAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-9-17(10-4-1)11-7-14-19(18-12-5-2-6-13-18)22-20-15-8-16-21-20/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,22).
What are the key properties of N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 292.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 19771634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).