2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine

C16H31N3O — CID 123606415

IUPAC2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine
SMILESCC1CCC(C)C(N)C(N2CCN3CCOCC3C2)C1
InChIInChI=1S/C16H31N3O/c1-12-3-4-13(2)16(17)15(9-12)19-6-5-18-7-8-20-11-14(18)10-19/h12-16H,3-11,17H2,1-2H3
InChIKeyOBMILHHSMGEECY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.15
Rot. Bonds1

About 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine

2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine (PubChem CID 123606415) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine
PubChem CID123606415
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine
SMILESCC1CCC(C)C(N)C(N2CCN3CCOCC3C2)C1
InChIInChI=1S/C16H31N3O/c1-12-3-4-13(2)16(17)15(9-12)19-6-5-18-7-8-20-11-14(18)10-19/h12-16H,3-11,17H2,1-2H3
InChIKeyOBMILHHSMGEECY-UHFFFAOYSA-N
XLogP1.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-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 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine?
The IUPAC name of 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine (CID 123606415) is 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine?
The canonical SMILES for 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine is CC1CCC(C)C(N)C(N2CCN3CCOCC3C2)C1.
What is the InChIKey of 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine?
The InChIKey is OBMILHHSMGEECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-3-4-13(2)16(17)15(9-12)19-6-5-18-7-8-20-11-14(18)10-19/h12-16H,3-11,17H2,1-2H3.
What are the key properties of 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine?
2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-4,7-dimethylcycloheptan-1-amine is sourced from PubChem (CID 123606415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).