N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C9H18N2 — CID 68709362

IUPACN-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCNC1CCN2CCCC2C1
InChIInChI=1S/C9H18N2/c1-10-8-4-6-11-5-2-3-9(11)7-8/h8-10H,2-7H2,1H3
InChIKeyMHMMLWPXQYRLMN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 68709362) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID68709362
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCNC1CCN2CCCC2C1
InChIInChI=1S/C9H18N2/c1-10-8-4-6-11-5-2-3-9(11)7-8/h8-10H,2-7H2,1H3
InChIKeyMHMMLWPXQYRLMN-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-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 N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 68709362) is N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CNC1CCN2CCCC2C1.
What is the InChIKey of N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is MHMMLWPXQYRLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-8-4-6-11-5-2-3-9(11)7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 68709362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).