1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine

C20H31N3O — CID 112540856

IUPAC1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cn(C)c2cc3c(cc12)CN(CCOCC)C3
InChIInChI=1S/C20H31N3O/c1-5-21-15(3)9-18-12-22(4)20-11-17-14-23(7-8-24-6-2)13-16(17)10-19(18)20/h10-12,15,21H,5-9,13-14H2,1-4H3
InChIKeyBUNBBNARTDVQRF-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.07
Rot. Bonds8

About 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine

1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine (PubChem CID 112540856) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
PubChem CID112540856
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cn(C)c2cc3c(cc12)CN(CCOCC)C3
InChIInChI=1S/C20H31N3O/c1-5-21-15(3)9-18-12-22(4)20-11-17-14-23(7-8-24-6-2)13-16(17)10-19(18)20/h10-12,15,21H,5-9,13-14H2,1-4H3
InChIKeyBUNBBNARTDVQRF-UHFFFAOYSA-N
XLogP3.07
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine (CID 112540856) is 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1cn(C)c2cc3c(cc12)CN(CCOCC)C3.
What is the InChIKey of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine?
The InChIKey is BUNBBNARTDVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-5-21-15(3)9-18-12-22(4)20-11-17-14-23(7-8-24-6-2)13-16(17)10-19(18)20/h10-12,15,21H,5-9,13-14H2,1-4H3.
What are the key properties of 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine?
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine has a molecular weight of 329.49 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 112540856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).