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

C9H18N2O — CID 82706110

IUPACN-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCONC1CCN2CCCC2C1
InChIInChI=1S/C9H18N2O/c1-12-10-8-4-6-11-5-2-3-9(11)7-8/h8-10H,2-7H2,1H3
InChIKeyXXTLDJVKMZTJBN-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds2

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

N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 82706110) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID82706110
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCONC1CCN2CCCC2C1
InChIInChI=1S/C9H18N2O/c1-12-10-8-4-6-11-5-2-3-9(11)7-8/h8-10H,2-7H2,1H3
InChIKeyXXTLDJVKMZTJBN-UHFFFAOYSA-N
XLogP0.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Octahydroindolizin-7-amine
CID 21988494
N-(2,2,2-trifluoroethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 82711105
N-Methyloctahydroindolizin-7-amine
CID 68709362
(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 27959069
(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 27959071
(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 51670079
rac-(7R,8aR)-octahydroindolizin-7-amine
CID 51670081
N-methoxy-2-(1-methylpiperidin-2-yl)ethanamine
CID 64973733
(7S)-Octahydroindolizin-7-amine
CID 75480670
N-heptan-4-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690836
N-butan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296302
N-pentan-3-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296505

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 82706110) is N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CONC1CCN2CCCC2C1.
What is the InChIKey of N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is XXTLDJVKMZTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-12-10-8-4-6-11-5-2-3-9(11)7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 170.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 82706110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).