1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine

C9H18N2 — CID 82416479

IUPAC1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine
SMILESCN1CCC2CCC(N)CC21
InChIInChI=1S/C9H18N2/c1-11-5-4-7-2-3-8(10)6-9(7)11/h7-9H,2-6,10H2,1H3
InChIKeyHJEHGRQTGRDPAZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds

About 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine

1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine (PubChem CID 82416479) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine.

Molecular Properties

Compound Name1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine
PubChem CID82416479
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine
SMILESCN1CCC2CCC(N)CC21
InChIInChI=1S/C9H18N2/c1-11-5-4-7-2-3-8(10)6-9(7)11/h7-9H,2-6,10H2,1H3
InChIKeyHJEHGRQTGRDPAZ-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine?
The IUPAC name of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine (CID 82416479) is 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine.
What is the SMILES notation for 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine?
The canonical SMILES for 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine is CN1CCC2CCC(N)CC21.
What is the InChIKey of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine?
The InChIKey is HJEHGRQTGRDPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-5-4-7-2-3-8(10)6-9(7)11/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine?
1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine is sourced from PubChem (CID 82416479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).