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

C20H30N2O — CID 3043835

IUPAC3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C20H30N2O/c1-5-21(6-2)13-9-12-20(4)19-16(3)17-10-7-8-11-18(17)22(19)14-15-23-20/h7-8,10-11H,5-6,9,12-15H2,1-4H3
InChIKeySQLFKPXTHRSEOY-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.32
Rot. Bonds6

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

3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine (PubChem CID 3043835) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine
PubChem CID3043835
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C20H30N2O/c1-5-21(6-2)13-9-12-20(4)19-16(3)17-10-7-8-11-18(17)22(19)14-15-23-20/h7-8,10-11H,5-6,9,12-15H2,1-4H3
InChIKeySQLFKPXTHRSEOY-UHFFFAOYSA-N
XLogP4.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine (CID 3043835) is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCC1(C)OCCn2c1c(C)c1ccccc12.
What is the InChIKey of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine?
The InChIKey is SQLFKPXTHRSEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-5-21(6-2)13-9-12-20(4)19-16(3)17-10-7-8-11-18(17)22(19)14-15-23-20/h7-8,10-11H,5-6,9,12-15H2,1-4H3.
What are the key properties of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine?
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine has a molecular weight of 314.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 3043835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).