2-(3,3-dimethyl-2H-indol-1-yl)ethanamine

C12H18N2 — CID 83752978

IUPAC2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
SMILESCC1(C)CN(CCN)c2ccccc21
InChIInChI=1S/C12H18N2/c1-12(2)9-14(8-7-13)11-6-4-3-5-10(11)12/h3-6H,7-9,13H2,1-2H3
InChIKeyLMRTXGKGLPNJOJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.74
Rot. Bonds2

About 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine

2-(3,3-dimethyl-2H-indol-1-yl)ethanamine (PubChem CID 83752978) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
PubChem CID83752978
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(3,3-dimethyl-2H-indol-1-yl)ethanamine
SMILESCC1(C)CN(CCN)c2ccccc21
InChIInChI=1S/C12H18N2/c1-12(2)9-14(8-7-13)11-6-4-3-5-10(11)12/h3-6H,7-9,13H2,1-2H3
InChIKeyLMRTXGKGLPNJOJ-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine (CID 83752978) is 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine is CC1(C)CN(CCN)c2ccccc21.
What is the InChIKey of 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine?
The InChIKey is LMRTXGKGLPNJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2)9-14(8-7-13)11-6-4-3-5-10(11)12/h3-6H,7-9,13H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine?
2-(3,3-dimethyl-2H-indol-1-yl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2H-indol-1-yl)ethanamine is sourced from PubChem (CID 83752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).