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

C11H15N3 — CID 18891

IUPAC3-[(dimethylamino)methyl]-1H-indol-5-amine
SMILESCN(C)Cc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3
InChIKeyLXCLCCAAPPKYBS-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.81
Rot. Bonds2

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

3-[(dimethylamino)methyl]-1H-indol-5-amine (PubChem CID 18891) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1H-indol-5-amine
PubChem CID18891
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-[(dimethylamino)methyl]-1H-indol-5-amine
SMILESCN(C)Cc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3
InChIKeyLXCLCCAAPPKYBS-UHFFFAOYSA-N
XLogP1.81
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1H-indol-5-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-1H-indol-5-amine (CID 18891) is 3-[(dimethylamino)methyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1H-indol-5-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-1H-indol-5-amine is CN(C)Cc1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1H-indol-5-amine?
The InChIKey is LXCLCCAAPPKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-1H-indol-5-amine?
3-[(dimethylamino)methyl]-1H-indol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1H-indol-5-amine is sourced from PubChem (CID 18891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).