3-methyl-1H-indole;N-methylmethanamine

C11H16N2 — CID 68994741

IUPAC3-methyl-1H-indole;N-methylmethanamine
SMILESCNC.Cc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N.C2H7N/c1-7-6-10-9-5-3-2-4-8(7)9;1-3-2/h2-6,10H,1H3;3H,1-2H3
InChIKeyIBHRJTTUOZMKMG-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.31
Rot. Bonds

About 3-methyl-1H-indole;N-methylmethanamine

3-methyl-1H-indole;N-methylmethanamine (PubChem CID 68994741) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-1H-indole;N-methylmethanamine.

Molecular Properties

Compound Name3-methyl-1H-indole;N-methylmethanamine
PubChem CID68994741
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-1H-indole;N-methylmethanamine
SMILESCNC.Cc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N.C2H7N/c1-7-6-10-9-5-3-2-4-8(7)9;1-3-2/h2-6,10H,1H3;3H,1-2H3
InChIKeyIBHRJTTUOZMKMG-UHFFFAOYSA-N
XLogP2.31
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl acetate;3-methyl-1H-indole
CID 90804638
ethyl acetate;3-methyl-1H-indole
CID 68993310
ethyl formate;3-methyl-1H-indole
CID 174567776
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
3-(methylamino)-1H-quinolin-4-one
CID 119084506
1H-indol-3-ol;1H-indol-3-yl hydrogen sulfate;3-methyl-1H-indole;sulfuric acid
CID 67630193
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
3,5-dimethyl-1H-indole
CID 142943492
4-methyl-2H-isoquinolin-1-one
CID 12695299
3-methyl-1H-indole;1-methyl-2-(4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-yl)hydrazine
CID 143276370
3-methyl-5-phenoxy-1H-indole
CID 82494590
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-indole;N-methylmethanamine?
The IUPAC name of 3-methyl-1H-indole;N-methylmethanamine (CID 68994741) is 3-methyl-1H-indole;N-methylmethanamine.
What is the SMILES notation for 3-methyl-1H-indole;N-methylmethanamine?
The canonical SMILES for 3-methyl-1H-indole;N-methylmethanamine is CNC.Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-methyl-1H-indole;N-methylmethanamine?
The InChIKey is IBHRJTTUOZMKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H7N/c1-7-6-10-9-5-3-2-4-8(7)9;1-3-2/h2-6,10H,1H3;3H,1-2H3.
What are the key properties of 3-methyl-1H-indole;N-methylmethanamine?
3-methyl-1H-indole;N-methylmethanamine has a molecular weight of 176.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-indole;N-methylmethanamine is sourced from PubChem (CID 68994741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).