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

C17H25N3 — CID 83983893

IUPAC4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCN1Cc2cc3c(CCC(C)N)cn(C)c3cc2C1
InChIInChI=1S/C17H25N3/c1-4-20-10-14-7-16-13(6-5-12(2)18)9-19(3)17(16)8-15(14)11-20/h7-9,12H,4-6,10-11,18H2,1-3H3
InChIKeyOUCYIYMGWRINPL-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.79
Rot. Bonds4

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

4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine (PubChem CID 83983893) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
PubChem CID83983893
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCN1Cc2cc3c(CCC(C)N)cn(C)c3cc2C1
InChIInChI=1S/C17H25N3/c1-4-20-10-14-7-16-13(6-5-12(2)18)9-19(3)17(16)8-15(14)11-20/h7-9,12H,4-6,10-11,18H2,1-3H3
InChIKeyOUCYIYMGWRINPL-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-amine
CID 83984062
1-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-1-amine
CID 83983883
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
4-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-ol
CID 112540836
2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
CID 83983879
4-(6-fluoro-1-methylindol-3-yl)butan-2-amine
CID 82494112
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
4-[1-methyl-6-(2-propan-2-yloxyethyl)-5,7-dihydropyrrolo[3,4-f]indol-3-yl]butan-2-one
CID 112540873
1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983625
1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine
CID 83983784

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The IUPAC name of 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine (CID 83983893) is 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The canonical SMILES for 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine is CCN1Cc2cc3c(CCC(C)N)cn(C)c3cc2C1.
What is the InChIKey of 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The InChIKey is OUCYIYMGWRINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20-10-14-7-16-13(6-5-12(2)18)9-19(3)17(16)8-15(14)11-20/h7-9,12H,4-6,10-11,18H2,1-3H3.
What are the key properties of 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine is sourced from PubChem (CID 83983893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).