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

C18H27N3 — CID 112540939

IUPAC3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
SMILESCCN1Cc2cc3c(CCCNC)c(C)n(C)c3cc2C1
InChIInChI=1S/C18H27N3/c1-5-21-11-14-9-17-16(7-6-8-19-3)13(2)20(4)18(17)10-15(14)12-21/h9-10,19H,5-8,11-12H2,1-4H3
InChIKeyDWIHCCWXDBJUEC-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.97
Rot. Bonds5

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

3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine (PubChem CID 112540939) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
PubChem CID112540939
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
SMILESCCN1Cc2cc3c(CCCNC)c(C)n(C)c3cc2C1
InChIInChI=1S/C18H27N3/c1-5-21-11-14-9-17-16(7-6-8-19-3)13(2)20(4)18(17)10-15(14)12-21/h9-10,19H,5-8,11-12H2,1-4H3
InChIKeyDWIHCCWXDBJUEC-UHFFFAOYSA-N
XLogP2.97
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
CID 112540938
1-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83984360
2-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylethanamine
CID 112540994
methyl 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoate
CID 83984356
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984337
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
CID 112540993
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-2-amine
CID 112540967
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
CID 112540888
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
N-[2-(1,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 83984111
1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine
CID 112540949

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine (CID 112540939) is 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine is CCN1Cc2cc3c(CCCNC)c(C)n(C)c3cc2C1.
What is the InChIKey of 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine?
The InChIKey is DWIHCCWXDBJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-21-11-14-9-17-16(7-6-8-19-3)13(2)20(4)18(17)10-15(14)12-21/h9-10,19H,5-8,11-12H2,1-4H3.
What are the key properties of 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine?
3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 112540939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).