1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine

C11H15N3 — CID 116909089

IUPAC1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
SMILESCN(C)C(N)c1c[nH]c2ccccc12
InChIInChI=1S/C11H15N3/c1-14(2)11(12)9-7-13-10-6-4-3-5-8(9)10/h3-7,11,13H,12H2,1-2H3
InChIKeyJEMDTUNYYCEWGL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.69
Rot. Bonds2

About 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine

1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine (PubChem CID 116909089) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
PubChem CID116909089
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
SMILESCN(C)C(N)c1c[nH]c2ccccc12
InChIInChI=1S/C11H15N3/c1-14(2)11(12)9-7-13-10-6-4-3-5-8(9)10/h3-7,11,13H,12H2,1-2H3
InChIKeyJEMDTUNYYCEWGL-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
3-propan-2-yl-1H-indole
CID 12534824
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
CID 155733647
CID 155733647

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine?
The IUPAC name of 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine (CID 116909089) is 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine?
The canonical SMILES for 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine is CN(C)C(N)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine?
The InChIKey is JEMDTUNYYCEWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14(2)11(12)9-7-13-10-6-4-3-5-8(9)10/h3-7,11,13H,12H2,1-2H3.
What are the key properties of 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine?
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine has a molecular weight of 189.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine is sourced from PubChem (CID 116909089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).