3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine

C16H19N3O — CID 54575585

IUPAC3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine
SMILESCOc1ccc2c3ccnc(C)c3n(CCCN)c2c1
InChIInChI=1S/C16H19N3O/c1-11-16-14(6-8-18-11)13-5-4-12(20-2)10-15(13)19(16)9-3-7-17/h4-6,8,10H,3,7,9,17H2,1-2H3
InChIKeyAWPWSWALRFFFFR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.86
Rot. Bonds4

About 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine

3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine (PubChem CID 54575585) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine
PubChem CID54575585
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine
SMILESCOc1ccc2c3ccnc(C)c3n(CCCN)c2c1
InChIInChI=1S/C16H19N3O/c1-11-16-14(6-8-18-11)13-5-4-12(20-2)10-15(13)19(16)9-3-7-17/h4-6,8,10H,3,7,9,17H2,1-2H3
InChIKeyAWPWSWALRFFFFR-UHFFFAOYSA-N
XLogP2.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine?
The IUPAC name of 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine (CID 54575585) is 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine.
What is the SMILES notation for 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine?
The canonical SMILES for 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine is COc1ccc2c3ccnc(C)c3n(CCCN)c2c1.
What is the InChIKey of 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine?
The InChIKey is AWPWSWALRFFFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-16-14(6-8-18-11)13-5-4-12(20-2)10-15(13)19(16)9-3-7-17/h4-6,8,10H,3,7,9,17H2,1-2H3.
What are the key properties of 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine?
3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)propan-1-amine is sourced from PubChem (CID 54575585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).