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

C18H26N2O — CID 3043837

IUPAC4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C18H26N2O/c1-14-15-8-4-5-9-16(15)20-12-13-21-18(2,17(14)20)10-6-7-11-19-3/h4-5,8-9,19H,6-7,10-13H2,1-3H3
InChIKeyJSSRPIIRNHYUND-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.58
Rot. Bonds5

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

4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine (PubChem CID 3043837) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine
PubChem CID3043837
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCC1(C)OCCn2c1c(C)c1ccccc12
InChIInChI=1S/C18H26N2O/c1-14-15-8-4-5-9-16(15)20-12-13-21-18(2,17(14)20)10-6-7-11-19-3/h4-5,8-9,19H,6-7,10-13H2,1-3H3
InChIKeyJSSRPIIRNHYUND-UHFFFAOYSA-N
XLogP3.58
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.58
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 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine (CID 3043837) is 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine is CNCCCCC1(C)OCCn2c1c(C)c1ccccc12.
What is the InChIKey of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine?
The InChIKey is JSSRPIIRNHYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-15-8-4-5-9-16(15)20-12-13-21-18(2,17(14)20)10-6-7-11-19-3/h4-5,8-9,19H,6-7,10-13H2,1-3H3.
What are the key properties of 4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine?
4-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N-methylbutan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.58, 5 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-methylbutan-1-amine is sourced from PubChem (CID 3043837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).