3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride

C13H22ClN3 — CID 20976500

IUPAC3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
SMILESC.CN(C)c1ccc2[nH]cc(CCN)c2c1.Cl
InChIInChI=1S/C12H17N3.CH4.ClH/c1-15(2)10-3-4-12-11(7-10)9(5-6-13)8-14-12;;/h3-4,7-8,14H,5-6,13H2,1-2H3;1H4;1H
InChIKeyCMDFNORKZFORQA-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.79
Rot. Bonds3

About 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride

3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride (PubChem CID 20976500) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
PubChem CID20976500
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
SMILESC.CN(C)c1ccc2[nH]cc(CCN)c2c1.Cl
InChIInChI=1S/C12H17N3.CH4.ClH/c1-15(2)10-3-4-12-11(7-10)9(5-6-13)8-14-12;;/h3-4,7-8,14H,5-6,13H2,1-2H3;1H4;1H
InChIKeyCMDFNORKZFORQA-UHFFFAOYSA-N
XLogP2.79
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride 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

2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
CID 14326601
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
CID 88521979
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
CID 75366101
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride (CID 20976500) is 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride is C.CN(C)c1ccc2[nH]cc(CCN)c2c1.Cl.
What is the InChIKey of 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride?
The InChIKey is CMDFNORKZFORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.CH4.ClH/c1-15(2)10-3-4-12-11(7-10)9(5-6-13)8-14-12;;/h3-4,7-8,14H,5-6,13H2,1-2H3;1H4;1H.
What are the key properties of 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride?
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride is sourced from PubChem (CID 20976500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).