N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine

C17H21N3O — CID 141177272

IUPACN,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine
SMILESCc1cnc2[nH]c3c(OCCCN(C)C)cccc3c2c1
InChIInChI=1S/C17H21N3O/c1-12-10-14-13-6-4-7-15(21-9-5-8-20(2)3)16(13)19-17(14)18-11-12/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyUHSMXFQGARNQJM-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.36
Rot. Bonds5

About N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine

N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine (PubChem CID 141177272) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine
PubChem CID141177272
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine
SMILESCc1cnc2[nH]c3c(OCCCN(C)C)cccc3c2c1
InChIInChI=1S/C17H21N3O/c1-12-10-14-13-6-4-7-15(21-9-5-8-20(2)3)16(13)19-17(14)18-11-12/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyUHSMXFQGARNQJM-UHFFFAOYSA-N
XLogP3.36
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
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 N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine (CID 141177272) is N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine is Cc1cnc2[nH]c3c(OCCCN(C)C)cccc3c2c1.
What is the InChIKey of N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine?
The InChIKey is UHSMXFQGARNQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-14-13-6-4-7-15(21-9-5-8-20(2)3)16(13)19-17(14)18-11-12/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-methyl-9H-pyrido[2,3-b]indol-8-yl)oxy]propan-1-amine is sourced from PubChem (CID 141177272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).