2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine

C17H24N2O — CID 3043825

IUPAC2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine
SMILESCCNCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C17H24N2O/c1-4-18-10-9-17(3)16-13(2)14-7-5-6-8-15(14)19(16)11-12-20-17/h5-8,18H,4,9-12H2,1-3H3
InChIKeyHCXPSQZGBNZUHH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.19
Rot. Bonds4

About 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine

2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine (PubChem CID 3043825) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine
PubChem CID3043825
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine
SMILESCCNCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C17H24N2O/c1-4-18-10-9-17(3)16-13(2)14-7-5-6-8-15(14)19(16)11-12-20-17/h5-8,18H,4,9-12H2,1-3H3
InChIKeyHCXPSQZGBNZUHH-UHFFFAOYSA-N
XLogP3.19
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine?
The IUPAC name of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine (CID 3043825) is 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine is CCNCCC1(C)OCCn2c1c(C)c1ccccc12.
What is the InChIKey of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine?
The InChIKey is HCXPSQZGBNZUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-18-10-9-17(3)16-13(2)14-7-5-6-8-15(14)19(16)11-12-20-17/h5-8,18H,4,9-12H2,1-3H3.
What are the key properties of 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine?
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine is sourced from PubChem (CID 3043825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).