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

C17H25N3 — CID 112540938

IUPAC2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
SMILESCCN1Cc2cc3c(CCNC)c(C)n(C)c3cc2C1
InChIInChI=1S/C17H25N3/c1-5-20-10-13-8-16-15(6-7-18-3)12(2)19(4)17(16)9-14(13)11-20/h8-9,18H,5-7,10-11H2,1-4H3
InChIKeyBSBKPRMJYQRRBC-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.58
Rot. Bonds4

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

2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine (PubChem CID 112540938) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
PubChem CID112540938
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine
SMILESCCN1Cc2cc3c(CCNC)c(C)n(C)c3cc2C1
InChIInChI=1S/C17H25N3/c1-5-20-10-13-8-16-15(6-7-18-3)12(2)19(4)17(16)9-14(13)11-20/h8-9,18H,5-7,10-11H2,1-4H3
InChIKeyBSBKPRMJYQRRBC-UHFFFAOYSA-N
XLogP2.58
TPSA20.20 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 ≤ 52.58
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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Related Compounds

3-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
CID 112540939
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
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
ethyl 6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indole-3-carboxylate
CID 83984337
3-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984471
1-[6-(2-ethoxyethyl)-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-methylpropan-2-amine
CID 112540993
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
CID 112540888
N-[2-(1,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 83984111
1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylpropan-2-amine
CID 112540967
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 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine (CID 112540938) is 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine is CCN1Cc2cc3c(CCNC)c(C)n(C)c3cc2C1.
What is the InChIKey of 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine?
The InChIKey is BSBKPRMJYQRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-20-10-13-8-16-15(6-7-18-3)12(2)19(4)17(16)9-14(13)11-20/h8-9,18H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine?
2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine has a molecular weight of 271.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 112540938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).