3-[2-(dimethylamino)ethyl]-1H-indol-5-amine

C12H17N3 — CID 11820211

IUPAC3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
SMILESCN(C)CCc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyKYXMPXCAXJDUTQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.85
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine

3-[2-(dimethylamino)ethyl]-1H-indol-5-amine (PubChem CID 11820211) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
PubChem CID11820211
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
SMILESCN(C)CCc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C12H17N3/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6,13H2,1-2H3
InChIKeyKYXMPXCAXJDUTQ-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1H-imidazol-2-amine
CID 151022593
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578423
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
4-bromo-3-[2-(dimethylamino)ethyl]aniline
CID 70451093

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine (CID 11820211) is 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine is CN(C)CCc1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine?
The InChIKey is KYXMPXCAXJDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12/h3-4,7-8,14H,5-6,13H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine?
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 11820211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).