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

C17H25ClN2O — CID 3043818

IUPAC3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCC1(C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-13-14-7-4-5-8-15(14)19-11-12-20-17(2,16(13)19)9-6-10-18-3;/h4-5,7-8,18H,6,9-12H2,1-3H3;1H
InChIKeyGHDNJUIPYGURPZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.62
Rot. Bonds4

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

3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride (PubChem CID 3043818) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride
PubChem CID3043818
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCC1(C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-13-14-7-4-5-8-15(14)19-11-12-20-17(2,16(13)19)9-6-10-18-3;/h4-5,7-8,18H,6,9-12H2,1-3H3;1H
InChIKeyGHDNJUIPYGURPZ-UHFFFAOYSA-N
XLogP3.62
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.62
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 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride (CID 3043818) is 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride is CNCCCC1(C)OCCn2c1c(C)c1ccccc12.Cl.
What is the InChIKey of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride?
The InChIKey is GHDNJUIPYGURPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-13-14-7-4-5-8-15(14)19-11-12-20-17(2,16(13)19)9-6-10-18-3;/h4-5,7-8,18H,6,9-12H2,1-3H3;1H.
What are the key properties of 3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride?
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylpropan-1-amine;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 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-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).