1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium

C13H17N2+ — CID 164561468

IUPAC1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium
SMILESCC(Cc1c[nH]c2ccccc12)=[N+](C)C
InChIInChI=1S/C13H17N2/c1-10(15(2)3)8-11-9-14-13-7-5-4-6-12(11)13/h4-7,9,14H,8H2,1-3H3/q+1
InChIKeyYKZOLDSAYJUSAE-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.44
Rot. Bonds2

About 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium

1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium (PubChem CID 164561468) has the molecular formula C13H17N2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium.

Molecular Properties

Compound Name1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium
PubChem CID164561468
Molecular FormulaC13H17N2+
Molecular Weight201.29 g/mol
Exact Mass201.14
IUPAC Name1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium
SMILESCC(Cc1c[nH]c2ccccc12)=[N+](C)C
InChIInChI=1S/C13H17N2/c1-10(15(2)3)8-11-9-14-13-7-5-4-6-12(11)13/h4-7,9,14H,8H2,1-3H3/q+1
InChIKeyYKZOLDSAYJUSAE-UHFFFAOYSA-N
XLogP2.44
TPSA18.80 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

chloro 2-(1H-indol-3-yl)acetate
CID 174694401
3-hydroxyimino-4-(1H-indol-3-yl)butan-2-one
CID 130005249
3-ethyl-1H-indole;methanamine
CID 142222050
CID 87710053
CID 87710053
(1H-indol-3-ylmethylamino)methanol
CID 115228988
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
1-(dimethylamino)-2-(1H-indol-3-yl)ethane-1,1-diol
CID 172578399
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
2,2-difluoro-3-[1-(1H-indol-3-yl)propan-2-ylideneamino]propan-1-ol
CID 166885763
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium?
The IUPAC name of 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium (CID 164561468) is 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium.
What is the SMILES notation for 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium?
The canonical SMILES for 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium is CC(Cc1c[nH]c2ccccc12)=[N+](C)C.
What is the InChIKey of 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium?
The InChIKey is YKZOLDSAYJUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2/c1-10(15(2)3)8-11-9-14-13-7-5-4-6-12(11)13/h4-7,9,14H,8H2,1-3H3/q+1.
What are the key properties of 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium?
1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium has a molecular weight of 201.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium is sourced from PubChem (CID 164561468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).