N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine

C23H26N2 — CID 19710213

IUPACN-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(Cc1ccccc1)C1Cc2ccc(-n3cccc3)cc2C1
InChIInChI=1S/C23H26N2/c1-2-12-25(18-19-8-4-3-5-9-19)23-15-20-10-11-22(16-21(20)17-23)24-13-6-7-14-24/h3-11,13-14,16,23H,2,12,15,17-18H2,1H3
InChIKeyYYMLVRSJBOJOMA-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.86
Rot. Bonds6

About N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine

N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine (PubChem CID 19710213) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine
PubChem CID19710213
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(Cc1ccccc1)C1Cc2ccc(-n3cccc3)cc2C1
InChIInChI=1S/C23H26N2/c1-2-12-25(18-19-8-4-3-5-9-19)23-15-20-10-11-22(16-21(20)17-23)24-13-6-7-14-24/h3-11,13-14,16,23H,2,12,15,17-18H2,1H3
InChIKeyYYMLVRSJBOJOMA-UHFFFAOYSA-N
XLogP4.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine (CID 19710213) is N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine is CCCN(Cc1ccccc1)C1Cc2ccc(-n3cccc3)cc2C1.
What is the InChIKey of N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is YYMLVRSJBOJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-2-12-25(18-19-8-4-3-5-9-19)23-15-20-10-11-22(16-21(20)17-23)24-13-6-7-14-24/h3-11,13-14,16,23H,2,12,15,17-18H2,1H3.
What are the key properties of N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine?
N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 330.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 19710213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).