6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine

C12H16N2 — CID 105443276

IUPAC6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
SMILESCc1ccc2c(c1)CC1CC(N)CN21
InChIInChI=1S/C12H16N2/c1-8-2-3-12-9(4-8)5-11-6-10(13)7-14(11)12/h2-4,10-11H,5-7,13H2,1H3
InChIKeyZGLPHWKWQOFXFR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.46
Rot. Bonds

About 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine

6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine (PubChem CID 105443276) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine.

Molecular Properties

Compound Name6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
PubChem CID105443276
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
SMILESCc1ccc2c(c1)CC1CC(N)CN21
InChIInChI=1S/C12H16N2/c1-8-2-3-12-9(4-8)5-11-6-10(13)7-14(11)12/h2-4,10-11H,5-7,13H2,1H3
InChIKeyZGLPHWKWQOFXFR-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105454751
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-7-ol
CID 105444334
2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-amine
CID 105480128
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-5-ol
CID 105444328
5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105456525
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
8-(2-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62741066
(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11298239
1-cyclohexyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82245752
(3R,4S)-3-amino-1,6-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 97028375
(2S,3R)-1,2,3,6-tetramethyl-3,4-dihydro-2H-quinoline
CID 139325985
5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 79993423

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
The IUPAC name of 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine (CID 105443276) is 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine.
What is the SMILES notation for 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
The canonical SMILES for 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine is Cc1ccc2c(c1)CC1CC(N)CN21.
What is the InChIKey of 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
The InChIKey is ZGLPHWKWQOFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-2-3-12-9(4-8)5-11-6-10(13)7-14(11)12/h2-4,10-11H,5-7,13H2,1H3.
What are the key properties of 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine?
6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine has a molecular weight of 188.27 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine is sourced from PubChem (CID 105443276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).