2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine

C12H18N2 — CID 112712523

IUPAC2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine
SMILESCC1=CC2C=CC=C(CCN)C2N1C
InChIInChI=1S/C12H18N2/c1-9-8-11-5-3-4-10(6-7-13)12(11)14(9)2/h3-5,8,11-12H,6-7,13H2,1-2H3
InChIKeyVBYRZHVCDJVTPD-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.67
Rot. Bonds2

About 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine

2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine (PubChem CID 112712523) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine
PubChem CID112712523
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine
SMILESCC1=CC2C=CC=C(CCN)C2N1C
InChIInChI=1S/C12H18N2/c1-9-8-11-5-3-4-10(6-7-13)12(11)14(9)2/h3-5,8,11-12H,6-7,13H2,1-2H3
InChIKeyVBYRZHVCDJVTPD-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 89268421
3a,7a-dihydro-1,2-benzothiazol-7-ylmethanamine
CID 112712028
2-(1-methyl-2-phenyl-8aH-imidazo[1,2-a]pyridin-3-yl)ethanamine
CID 143829317
7,8-dimethyl-7-azabicyclo[4.3.1]deca-1(10),2,4,8-tetraene
CID 143104049
2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39347093
5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one
CID 83856689
1-ethyl-5-methylcyclopenta-1,3-diene;titanium
CID 174586212
2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine
CID 112711949
2-(3-iodo-1-methylpyrazol-4-yl)ethanamine
CID 165083732
2-(1,5-dimethylimidazol-4-yl)ethanamine
CID 573597
2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine
CID 83874591
6-ethyl-1-methyl-2H-pyridine-2-carboxamide
CID 143793622

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine?
The IUPAC name of 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine (CID 112712523) is 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine.
What is the SMILES notation for 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine?
The canonical SMILES for 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine is CC1=CC2C=CC=C(CCN)C2N1C.
What is the InChIKey of 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine?
The InChIKey is VBYRZHVCDJVTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-8-11-5-3-4-10(6-7-13)12(11)14(9)2/h3-5,8,11-12H,6-7,13H2,1-2H3.
What are the key properties of 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine?
2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-3a,7a-dihydroindol-7-yl)ethanamine is sourced from PubChem (CID 112712523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).