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

C19H29ClN2O — CID 3043838

IUPAC4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride
SMILESCCNCCCCC1(C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-4-20-12-8-7-11-19(3)18-15(2)16-9-5-6-10-17(16)21(18)13-14-22-19;/h5-6,9-10,20H,4,7-8,11-14H2,1-3H3;1H
InChIKeyOHVVYNNQGRLSAJ-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.40
Rot. Bonds6

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

4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride (PubChem CID 3043838) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride
PubChem CID3043838
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride
SMILESCCNCCCCC1(C)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-4-20-12-8-7-11-19(3)18-15(2)16-9-5-6-10-17(16)21(18)13-14-22-19;/h5-6,9-10,20H,4,7-8,11-14H2,1-3H3;1H
InChIKeyOHVVYNNQGRLSAJ-UHFFFAOYSA-N
XLogP4.40
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.40
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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Related Compounds

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CID 66986402
2'-(2-iodo-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176144
1-methyl-5-nitro-3-phenyl-2-(propoxymethyl)-1H-indole
CID 71148612
Lexanopadol
CID 24798598
2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-1H-indole
CID 9981761
8-Methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 15176150
2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176159
(12R)-12-ethyl-17-(methoxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 25227568
(12R)-17-(ethoxymethyl)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 25227569
N,N-dimethyl-N-{4-phenyl-2',3',4',9'-tetrahydrospiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-yl}-amine
CID 10406239

Frequently Asked Questions

What is the IUPAC name of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride?
The IUPAC name of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride (CID 3043838) is 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride is CCNCCCCC1(C)OCCn2c1c(C)c1ccccc12.Cl.
What is the InChIKey of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride?
The InChIKey is OHVVYNNQGRLSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-4-20-12-8-7-11-19(3)18-15(2)16-9-5-6-10-17(16)21(18)13-14-22-19;/h5-6,9-10,20H,4,7-8,11-14H2,1-3H3;1H.
What are the key properties of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride?
4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-ethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 3043838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).