1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine

C15H21N3 — CID 83983625

IUPAC1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C15H21N3/c1-3-13(16)4-12-9-18(2)15-6-11-8-17-7-10(11)5-14(12)15/h5-6,9,13,17H,3-4,7-8,16H2,1-2H3
InChIKeyZBISFYFQXBIKQX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.06
Rot. Bonds3

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

1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine (PubChem CID 83983625) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine
PubChem CID83983625
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C15H21N3/c1-3-13(16)4-12-9-18(2)15-6-11-8-17-7-10(11)5-14(12)15/h5-6,9,13,17H,3-4,7-8,16H2,1-2H3
InChIKeyZBISFYFQXBIKQX-UHFFFAOYSA-N
XLogP2.06
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The IUPAC name of 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine (CID 83983625) is 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine is CCC(N)Cc1cn(C)c2cc3c(cc12)CNC3.
What is the InChIKey of 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The InChIKey is ZBISFYFQXBIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-13(16)4-12-9-18(2)15-6-11-8-17-7-10(11)5-14(12)15/h5-6,9,13,17H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine?
1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine is sourced from PubChem (CID 83983625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).