3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine

C15H17N3O — CID 54575583

IUPAC3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine
SMILESCc1nccc2c1[nH]c1cc(OCCCN)ccc12
InChIInChI=1S/C15H17N3O/c1-10-15-13(5-7-17-10)12-4-3-11(9-14(12)18-15)19-8-2-6-16/h3-5,7,9,18H,2,6,8,16H2,1H3
InChIKeyCTNYBQXVPYGIJR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.75
Rot. Bonds4

About 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine

3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine (PubChem CID 54575583) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine
PubChem CID54575583
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine
SMILESCc1nccc2c1[nH]c1cc(OCCCN)ccc12
InChIInChI=1S/C15H17N3O/c1-10-15-13(5-7-17-10)12-4-3-11(9-14(12)18-15)19-8-2-6-16/h3-5,7,9,18H,2,6,8,16H2,1H3
InChIKeyCTNYBQXVPYGIJR-UHFFFAOYSA-N
XLogP2.75
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine?
The IUPAC name of 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine (CID 54575583) is 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine.
What is the SMILES notation for 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine?
The canonical SMILES for 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine is Cc1nccc2c1[nH]c1cc(OCCCN)ccc12.
What is the InChIKey of 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine?
The InChIKey is CTNYBQXVPYGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-15-13(5-7-17-10)12-4-3-11(9-14(12)18-15)19-8-2-6-16/h3-5,7,9,18H,2,6,8,16H2,1H3.
What are the key properties of 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine?
3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine is sourced from PubChem (CID 54575583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).