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

C11H24N2 — CID 170747754

IUPACethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
SMILESCC.CNC1CCC2CCCN2C1
InChIInChI=1S/C9H18N2.C2H6/c1-10-8-4-5-9-3-2-6-11(9)7-8;1-2/h8-10H,2-7H2,1H3;1-2H3
InChIKeyXAXDCZUTKDOFQP-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.86
Rot. Bonds1

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

ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine (PubChem CID 170747754) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine.

Molecular Properties

Compound Nameethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
PubChem CID170747754
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
SMILESCC.CNC1CCC2CCCN2C1
InChIInChI=1S/C9H18N2.C2H6/c1-10-8-4-5-9-3-2-6-11(9)7-8;1-2/h8-10H,2-7H2,1H3;1-2H3
InChIKeyXAXDCZUTKDOFQP-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-octahydropyrrolo(1,2-a)piperazine
CID 18958803
Octahydropyrrolo(1,2-a)pyrazine
CID 558578
1-Methyloctahydropyrrolo(1,2-a)pyrazine
CID 44827712
(6S)-1,4-Diazabicyclo(4.3.0)nonane
CID 781249
1-Nonan-5-ylpiperazine
CID 2760244
2-Pyrrolidin-1-ylmethyl-piperidine
CID 2760541
Octahydroindolizin-7-amine
CID 21988494
(3S,8aS)-Octahydro-3-methyl-pyrrolo[1,2-a]pyrazine
CID 24903578
(8aS)-octahydropyrrolo[1,2-a]piperazine dihydrochloride
CID 43810632
Octahydroindolizin-1-amine
CID 43810752
(R)-octahydropyrrolo[1,2-a]pyrazine dihydrochloride
CID 44828674
Octahydroindolizin-2-amine
CID 54593182

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine?
The IUPAC name of ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine (CID 170747754) is ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine.
What is the SMILES notation for ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine?
The canonical SMILES for ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine is CC.CNC1CCC2CCCN2C1.
What is the InChIKey of ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine?
The InChIKey is XAXDCZUTKDOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-10-8-4-5-9-3-2-6-11(9)7-8;1-2/h8-10H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine?
ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine has a molecular weight of 184.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine is sourced from PubChem (CID 170747754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).