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

C20H31BrN2O — CID 3043834

IUPAC3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide
SMILESBr.CCN(CC)CCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C20H30N2O.BrH/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;1H
InChIKeyNOEHXXFDGQGKSD-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.90
Rot. Bonds6

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

3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide (PubChem CID 3043834) has the molecular formula C20H31BrN2O and a molecular weight of 395.39 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;hydrobromide.

Molecular Properties

Compound Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide
PubChem CID3043834
Molecular FormulaC20H31BrN2O
Molecular Weight395.39 g/mol
Exact Mass394.16
IUPAC Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide
SMILESBr.CCN(CC)CCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C20H30N2O.BrH/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;1H
InChIKeyNOEHXXFDGQGKSD-UHFFFAOYSA-N
XLogP4.90
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide with MolForge

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Related Compounds

3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine
CID 3043835
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide
CID 3043826
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylpropan-1-amine
CID 3043829
4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine
CID 3043837
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylethanamine
CID 3043825
3-[1-(aminomethyl)-3,4-dihydroisochromen-1-yl]-N,N-diethylpropan-1-amine;dihydrochloride
CID 52997744
1,10-dimethyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 86733524
3-(diethylamino)propyl carbazole-9-carboxylate;hydrochloride
CID 138400906
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
2-(1,3-dimethylindol-2-yl)-2-phenylethanamine
CID 84639525
1-butyl-N-[4-(diethylamino)butyl]-3-methylindole-2-carboxamide
CID 110497326
N,N-dimethyl-2-(1,5,9-trimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)ethanamine
CID 3044866

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;hydrobromide?
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;hydrobromide (CID 3043834) is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide.
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;hydrobromide?
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;hydrobromide is Br.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;hydrobromide?
The InChIKey is NOEHXXFDGQGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.BrH/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;1H.
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;hydrobromide?
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine;hydrobromide has a molecular weight of 395.39 g/mol, XLogP of 4.90, 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;hydrobromide is sourced from PubChem (CID 3043834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).