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

C20H31N3O — CID 112540993

IUPAC1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
SMILESCCOCCN1Cc2cc3c(CC(C)NC)c(C)n(C)c3cc2C1
InChIInChI=1S/C20H31N3O/c1-6-24-8-7-23-12-16-10-19-18(9-14(2)21-4)15(3)22(5)20(19)11-17(16)13-23/h10-11,14,21H,6-9,12-13H2,1-5H3
InChIKeyCTZLGBUSUHPPQN-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.99
Rot. Bonds7

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

1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine (PubChem CID 112540993) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
PubChem CID112540993
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
SMILESCCOCCN1Cc2cc3c(CC(C)NC)c(C)n(C)c3cc2C1
InChIInChI=1S/C20H31N3O/c1-6-24-8-7-23-12-16-10-19-18(9-14(2)21-4)15(3)22(5)20(19)11-17(16)13-23/h10-11,14,21H,6-9,12-13H2,1-5H3
InChIKeyCTZLGBUSUHPPQN-UHFFFAOYSA-N
XLogP2.99
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine (CID 112540993) is 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine is CCOCCN1Cc2cc3c(CC(C)NC)c(C)n(C)c3cc2C1.
What is the InChIKey of 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine?
The InChIKey is CTZLGBUSUHPPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-6-24-8-7-23-12-16-10-19-18(9-14(2)21-4)15(3)22(5)20(19)11-17(16)13-23/h10-11,14,21H,6-9,12-13H2,1-5H3.
What are the key properties of 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine?
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine has a molecular weight of 329.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 112540993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).