cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

C24H29N2+ — CID 7232138

IUPACcyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
SMILESCc1ccccc1Cn1cccc1C[NH+](Cc1ccccc1C)C1CC1
InChIInChI=1S/C24H28N2/c1-19-8-3-5-10-21(19)16-25-15-7-12-24(25)18-26(23-13-14-23)17-22-11-6-4-9-20(22)2/h3-12,15,23H,13-14,16-18H2,1-2H3/p+1
InChIKeyMEOSHQXZBIVNGW-UHFFFAOYSA-O
MW345.51 g/mol
LogP3.90
Rot. Bonds7

About cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium (PubChem CID 7232138) has the molecular formula C24H29N2+ and a molecular weight of 345.51 g/mol. Its IUPAC name is cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
PubChem CID7232138
Molecular FormulaC24H29N2+
Molecular Weight345.51 g/mol
Exact Mass345.23
IUPAC Namecyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
SMILESCc1ccccc1Cn1cccc1C[NH+](Cc1ccccc1C)C1CC1
InChIInChI=1S/C24H28N2/c1-19-8-3-5-10-21(19)16-25-15-7-12-24(25)18-26(23-13-14-23)17-22-11-6-4-9-20(22)2/h3-12,15,23H,13-14,16-18H2,1-2H3/p+1
InChIKeyMEOSHQXZBIVNGW-UHFFFAOYSA-O
XLogP3.90
TPSA9.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-benzylpyrrol-2-yl)methyl-[(2-cyanophenyl)methyl]-cyclopropylazanium
CID 7397324
[(2S)-2-hydroxypropyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7364052
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795125
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401206
cyclohexylmethyl-[(2R)-2-hydroxypentyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7338138
3-methoxypropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium
CID 7365246
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol
CID 42794850
[(2R)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7218498
1-benzyl-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951505
cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]azanium
CID 7207207
(3-cyanophenyl)methyl-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7415014
(3-cyanophenyl)methyl-(3-methoxypropyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium
CID 7364676

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The IUPAC name of cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium (CID 7232138) is cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium.
What is the SMILES notation for cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The canonical SMILES for cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium is Cc1ccccc1Cn1cccc1C[NH+](Cc1ccccc1C)C1CC1.
What is the InChIKey of cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
The InChIKey is MEOSHQXZBIVNGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2/c1-19-8-3-5-10-21(19)16-25-15-7-12-24(25)18-26(23-13-14-23)17-22-11-6-4-9-20(22)2/h3-12,15,23H,13-14,16-18H2,1-2H3/p+1.
What are the key properties of cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium?
cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium has a molecular weight of 345.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2-methylphenyl)methyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium is sourced from PubChem (CID 7232138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).