[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium

C20H24N3+ — CID 163503504

IUPAC[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium
SMILESCc1ccccc1CC(=[NH2+])c1cn(C)c2ccc(N(C)C)cc12
InChIInChI=1S/C20H23N3/c1-14-7-5-6-8-15(14)11-19(21)18-13-23(4)20-10-9-16(22(2)3)12-17(18)20/h5-10,12-13,21H,11H2,1-4H3/p+1
InChIKeyCWSAJMJBWVNIFV-UHFFFAOYSA-O
MW306.43 g/mol
LogP2.34
Rot. Bonds4

About [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium

[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium (PubChem CID 163503504) has the molecular formula C20H24N3+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium.

Molecular Properties

Compound Name[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium
PubChem CID163503504
Molecular FormulaC20H24N3+
Molecular Weight306.43 g/mol
Exact Mass306.20
IUPAC Name[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium
SMILESCc1ccccc1CC(=[NH2+])c1cn(C)c2ccc(N(C)C)cc12
InChIInChI=1S/C20H23N3/c1-14-7-5-6-8-15(14)11-19(21)18-13-23(4)20-10-9-16(22(2)3)12-17(18)20/h5-10,12-13,21H,11H2,1-4H3/p+1
InChIKeyCWSAJMJBWVNIFV-UHFFFAOYSA-O
XLogP2.34
TPSA33.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43676922
6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
N,N,8-trimethylnaphthalen-2-amine
CID 118617152
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937984
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
1,5-dimethylindole-3-carboxamide
CID 119084556

Frequently Asked Questions

What is the IUPAC name of [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium?
The IUPAC name of [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium (CID 163503504) is [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium.
What is the SMILES notation for [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium?
The canonical SMILES for [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium is Cc1ccccc1CC(=[NH2+])c1cn(C)c2ccc(N(C)C)cc12.
What is the InChIKey of [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium?
The InChIKey is CWSAJMJBWVNIFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3/c1-14-7-5-6-8-15(14)11-19(21)18-13-23(4)20-10-9-16(22(2)3)12-17(18)20/h5-10,12-13,21H,11H2,1-4H3/p+1.
What are the key properties of [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium?
[1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium has a molecular weight of 306.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(dimethylamino)-1-methylindol-3-yl]-2-(2-methylphenyl)ethylidene]azanium is sourced from PubChem (CID 163503504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).