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

C19H29N3 — CID 112540888

IUPAC2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
SMILESCCCn1c(C)c(CCNCC)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C19H29N3/c1-5-9-22-14(3)17(7-8-20-6-2)18-10-15-12-21(4)13-16(15)11-19(18)22/h10-11,20H,5-9,12-13H2,1-4H3
InChIKeyWKIGEPNVNIDYJN-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.46
Rot. Bonds6

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

2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine (PubChem CID 112540888) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
PubChem CID112540888
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
SMILESCCCn1c(C)c(CCNCC)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C19H29N3/c1-5-9-22-14(3)17(7-8-20-6-2)18-10-15-12-21(4)13-16(15)11-19(18)22/h10-11,20H,5-9,12-13H2,1-4H3
InChIKeyWKIGEPNVNIDYJN-UHFFFAOYSA-N
XLogP3.46
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine (CID 112540888) is 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine is CCCn1c(C)c(CCNCC)c2cc3c(cc21)CN(C)C3.
What is the InChIKey of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine?
The InChIKey is WKIGEPNVNIDYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-5-9-22-14(3)17(7-8-20-6-2)18-10-15-12-21(4)13-16(15)11-19(18)22/h10-11,20H,5-9,12-13H2,1-4H3.
What are the key properties of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine?
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine has a molecular weight of 299.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 112540888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).