ethane;1-methylindole;N-methylmethanamine

C13H22N2 — CID 54113940

IUPACethane;1-methylindole;N-methylmethanamine
SMILESCC.CNC.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C2H7N.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-3-2;1-2/h2-7H,1H3;3H,1-2H3;1-2H3
InChIKeyNJAFKNSZWLSNIC-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.04
Rot. Bonds

About ethane;1-methylindole;N-methylmethanamine

ethane;1-methylindole;N-methylmethanamine (PubChem CID 54113940) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;1-methylindole;N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-methylindole;N-methylmethanamine
PubChem CID54113940
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;1-methylindole;N-methylmethanamine
SMILESCC.CNC.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C2H7N.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-3-2;1-2/h2-7H,1H3;3H,1-2H3;1-2H3
InChIKeyNJAFKNSZWLSNIC-UHFFFAOYSA-N
XLogP3.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-methylindole;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methylindole
CID 91600075
bromoethane;1-methylindole
CID 90687414
ethane;1-methylindole;oxalyl dichloride
CID 90879364
N,N-dimethylformamide;1-methylindole
CID 157183236
ethane;1-methylindole;1-methyltriphenylene
CID 159697766
1-methylindole;N-prop-2-enylprop-2-en-1-amine
CID 68614533
ethane;guanidine;methane;1-methylindole;propan-2-one
CID 158831393
1-methylindole;naphthalene-1,4-dione
CID 175045014
6-methylbicyclo[3.1.1]hepta-1(6),2,4-triene;1-methylindole
CID 174553279
1-bromo-4-ethylbenzene;bis(1-methylindole)
CID 175367041
N-(diaminomethylidene)formamide;1-methylindole;hydrochloride
CID 174360728
2-methylbenzene-1,3-dicarboxylic acid;1-methylindole
CID 158400940

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylindole;N-methylmethanamine?
The IUPAC name of ethane;1-methylindole;N-methylmethanamine (CID 54113940) is ethane;1-methylindole;N-methylmethanamine.
What is the SMILES notation for ethane;1-methylindole;N-methylmethanamine?
The canonical SMILES for ethane;1-methylindole;N-methylmethanamine is CC.CNC.Cn1ccc2ccccc21.
What is the InChIKey of ethane;1-methylindole;N-methylmethanamine?
The InChIKey is NJAFKNSZWLSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H7N.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-3-2;1-2/h2-7H,1H3;3H,1-2H3;1-2H3.
What are the key properties of ethane;1-methylindole;N-methylmethanamine?
ethane;1-methylindole;N-methylmethanamine has a molecular weight of 206.33 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylindole;N-methylmethanamine is sourced from PubChem (CID 54113940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).