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

C19H29N3 — CID 83984431

IUPAC1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)n(C)c2cc3c(cc12)CN(C(C)C)C3
InChIInChI=1S/C19H29N3/c1-6-16(20)9-17-13(4)21(5)19-8-15-11-22(12(2)3)10-14(15)7-18(17)19/h7-8,12,16H,6,9-11,20H2,1-5H3
InChIKeyWFSVGXPFXBAJLS-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.49
Rot. Bonds4

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

1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine (PubChem CID 83984431) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
PubChem CID83984431
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)n(C)c2cc3c(cc12)CN(C(C)C)C3
InChIInChI=1S/C19H29N3/c1-6-16(20)9-17-13(4)21(5)19-8-15-11-22(12(2)3)10-14(15)7-18(17)19/h7-8,12,16H,6,9-11,20H2,1-5H3
InChIKeyWFSVGXPFXBAJLS-UHFFFAOYSA-N
XLogP3.49
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The IUPAC name of 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine (CID 83984431) is 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine is CCC(N)Cc1c(C)n(C)c2cc3c(cc12)CN(C(C)C)C3.
What is the InChIKey of 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
The InChIKey is WFSVGXPFXBAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-6-16(20)9-17-13(4)21(5)19-8-15-11-22(12(2)3)10-14(15)7-18(17)19/h7-8,12,16H,6,9-11,20H2,1-5H3.
What are the key properties of 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine?
1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-amine is sourced from PubChem (CID 83984431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).