3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine

C16H25N3O2 — CID 83948403

IUPAC3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
SMILESCOc1cc2c(CCCN)cn(CCCN)c2cc1OC
InChIInChI=1S/C16H25N3O2/c1-20-15-9-13-12(5-3-6-17)11-19(8-4-7-18)14(13)10-16(15)21-2/h9-11H,3-8,17-18H2,1-2H3
InChIKeyMCAQPALLJCZGSM-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.90
Rot. Bonds8

About 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine

3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine (PubChem CID 83948403) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
PubChem CID83948403
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
SMILESCOc1cc2c(CCCN)cn(CCCN)c2cc1OC
InChIInChI=1S/C16H25N3O2/c1-20-15-9-13-12(5-3-6-17)11-19(8-4-7-18)14(13)10-16(15)21-2/h9-11H,3-8,17-18H2,1-2H3
InChIKeyMCAQPALLJCZGSM-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine (CID 83948403) is 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine is COc1cc2c(CCCN)cn(CCCN)c2cc1OC.
What is the InChIKey of 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine?
The InChIKey is MCAQPALLJCZGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-20-15-9-13-12(5-3-6-17)11-19(8-4-7-18)14(13)10-16(15)21-2/h9-11H,3-8,17-18H2,1-2H3.
What are the key properties of 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine?
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine is sourced from PubChem (CID 83948403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).