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

C17H25N3 — CID 83983883

IUPAC1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine
SMILESCCCC(N)c1cn(C)c2cc3c(cc12)CN(CC)C3
InChIInChI=1S/C17H25N3/c1-4-6-16(18)15-11-19(3)17-8-13-10-20(5-2)9-12(13)7-14(15)17/h7-8,11,16H,4-6,9-10,18H2,1-3H3
InChIKeySDGRBEYPDFWLNG-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.31
Rot. Bonds4

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

1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine (PubChem CID 83983883) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine
PubChem CID83983883
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine
SMILESCCCC(N)c1cn(C)c2cc3c(cc12)CN(CC)C3
InChIInChI=1S/C17H25N3/c1-4-6-16(18)15-11-19(3)17-8-13-10-20(5-2)9-12(13)7-14(15)17/h7-8,11,16H,4-6,9-10,18H2,1-3H3
InChIKeySDGRBEYPDFWLNG-UHFFFAOYSA-N
XLogP3.31
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine?
The IUPAC name of 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine (CID 83983883) is 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine?
The canonical SMILES for 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine is CCCC(N)c1cn(C)c2cc3c(cc12)CN(CC)C3.
What is the InChIKey of 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine?
The InChIKey is SDGRBEYPDFWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-6-16(18)15-11-19(3)17-8-13-10-20(5-2)9-12(13)7-14(15)17/h7-8,11,16H,4-6,9-10,18H2,1-3H3.
What are the key properties of 1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine?
1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.31, 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-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine is sourced from PubChem (CID 83983883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).