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

C21H33N3 — CID 112540949

IUPAC1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1c(C)n(C)c2cc3c(cc12)CN(C(C)(C)C)C3
InChIInChI=1S/C21H33N3/c1-8-22-14(2)9-18-15(3)23(7)20-11-17-13-24(21(4,5)6)12-16(17)10-19(18)20/h10-11,14,22H,8-9,12-13H2,1-7H3
InChIKeyYSVAFRWNKXYTHF-UHFFFAOYSA-N
MW327.52 g/mol
LogP4.14
Rot. Bonds4

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

1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine (PubChem CID 112540949) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine
PubChem CID112540949
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1c(C)n(C)c2cc3c(cc12)CN(C(C)(C)C)C3
InChIInChI=1S/C21H33N3/c1-8-22-14(2)9-18-15(3)23(7)20-11-17-13-24(21(4,5)6)12-16(17)10-19(18)20/h10-11,14,22H,8-9,12-13H2,1-7H3
InChIKeyYSVAFRWNKXYTHF-UHFFFAOYSA-N
XLogP4.14
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine (CID 112540949) is 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1c(C)n(C)c2cc3c(cc12)CN(C(C)(C)C)C3.
What is the InChIKey of 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine?
The InChIKey is YSVAFRWNKXYTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-8-22-14(2)9-18-15(3)23(7)20-11-17-13-24(21(4,5)6)12-16(17)10-19(18)20/h10-11,14,22H,8-9,12-13H2,1-7H3.
What are the key properties of 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine?
1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine has a molecular weight of 327.52 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-1,2-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 112540949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).