4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine

C18H23N3O — CID 54575646

IUPAC4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
SMILESCCc1nccc2c3ccc(OC)cc3n(CCCCN)c12
InChIInChI=1S/C18H23N3O/c1-3-16-18-15(8-10-20-16)14-7-6-13(22-2)12-17(14)21(18)11-5-4-9-19/h6-8,10,12H,3-5,9,11,19H2,1-2H3
InChIKeyOGCIUTNZBNCBON-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.50
Rot. Bonds6

About 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine

4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine (PubChem CID 54575646) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
PubChem CID54575646
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
SMILESCCc1nccc2c3ccc(OC)cc3n(CCCCN)c12
InChIInChI=1S/C18H23N3O/c1-3-16-18-15(8-10-20-16)14-7-6-13(22-2)12-17(14)21(18)11-5-4-9-19/h6-8,10,12H,3-5,9,11,19H2,1-2H3
InChIKeyOGCIUTNZBNCBON-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 151182
Arvelexin
CID 119406
Harmine Hydrochloride
CID 5359389
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-MeO-DALT
CID 50878551
4-Methoxy-1H-indole
CID 138363
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine?
The IUPAC name of 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine (CID 54575646) is 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine.
What is the SMILES notation for 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine?
The canonical SMILES for 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine is CCc1nccc2c3ccc(OC)cc3n(CCCCN)c12.
What is the InChIKey of 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine?
The InChIKey is OGCIUTNZBNCBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-16-18-15(8-10-20-16)14-7-6-13(22-2)12-17(14)21(18)11-5-4-9-19/h6-8,10,12H,3-5,9,11,19H2,1-2H3.
What are the key properties of 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine?
4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine is sourced from PubChem (CID 54575646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).