1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine

C16H25N3 — CID 82500433

IUPAC1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc2c(C(CN)N(C)C)c(C)n(C)c12
InChIInChI=1S/C16H25N3/c1-6-12-8-7-9-13-15(14(10-17)18(3)4)11(2)19(5)16(12)13/h7-9,14H,6,10,17H2,1-5H3
InChIKeyOJGPCOMGWILYGR-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.61
Rot. Bonds4

About 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine

1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82500433) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID82500433
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
SMILESCCc1cccc2c(C(CN)N(C)C)c(C)n(C)c12
InChIInChI=1S/C16H25N3/c1-6-12-8-7-9-13-15(14(10-17)18(3)4)11(2)19(5)16(12)13/h7-9,14H,6,10,17H2,1-5H3
InChIKeyOJGPCOMGWILYGR-UHFFFAOYSA-N
XLogP2.61
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
5-(7-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742263
1-[1-(7-ethyl-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84636329
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
1-ethyl-9-methylcarbazole
CID 21455608
4-(7-ethyl-1,2-dimethylindol-3-yl)butan-2-one
CID 82497423
5-(7-ethyl-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742218
7-ethyl-1,3-dimethylindole-2-carbaldehyde
CID 82491522

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine (CID 82500433) is 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine is CCc1cccc2c(C(CN)N(C)C)c(C)n(C)c12.
What is the InChIKey of 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is OJGPCOMGWILYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-12-8-7-9-13-15(14(10-17)18(3)4)11(2)19(5)16(12)13/h7-9,14H,6,10,17H2,1-5H3.
What are the key properties of 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine?
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82500433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).