1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine

C18H27N3 — CID 83984360

IUPAC1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)n(C)c2cc3c(cc12)CN(CC)C3
InChIInChI=1S/C18H27N3/c1-5-15(19)9-16-12(3)20(4)18-8-14-11-21(6-2)10-13(14)7-17(16)18/h7-8,15H,5-6,9-11,19H2,1-4H3
InChIKeyZOOYDRKIMUBSRA-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.10
Rot. Bonds4

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

1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine (PubChem CID 83984360) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
PubChem CID83984360
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)n(C)c2cc3c(cc12)CN(CC)C3
InChIInChI=1S/C18H27N3/c1-5-15(19)9-16-12(3)20(4)18-8-14-11-21(6-2)10-13(14)7-17(16)18/h7-8,15H,5-6,9-11,19H2,1-4H3
InChIKeyZOOYDRKIMUBSRA-UHFFFAOYSA-N
XLogP3.10
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The IUPAC name of 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine (CID 83984360) is 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine is CCC(N)Cc1c(C)n(C)c2cc3c(cc12)CN(CC)C3.
What is the InChIKey of 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The InChIKey is ZOOYDRKIMUBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-15(19)9-16-12(3)20(4)18-8-14-11-21(6-2)10-13(14)7-17(16)18/h7-8,15H,5-6,9-11,19H2,1-4H3.
What are the key properties of 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine is sourced from PubChem (CID 83984360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).