N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine

C22H27N3 — CID 118724295

IUPACN-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine
SMILESCN(CCCN1CCc2c([nH]c3ccccc23)C1)Cc1ccccc1
InChIInChI=1S/C22H27N3/c1-24(16-18-8-3-2-4-9-18)13-7-14-25-15-12-20-19-10-5-6-11-21(19)23-22(20)17-25/h2-6,8-11,23H,7,12-17H2,1H3
InChIKeyCEFYRHKEFRHEIC-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.05
Rot. Bonds6

About N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine

N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine (PubChem CID 118724295) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine
PubChem CID118724295
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC NameN-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine
SMILESCN(CCCN1CCc2c([nH]c3ccccc23)C1)Cc1ccccc1
InChIInChI=1S/C22H27N3/c1-24(16-18-8-3-2-4-9-18)13-7-14-25-15-12-20-19-10-5-6-11-21(19)23-22(20)17-25/h2-6,8-11,23H,7,12-17H2,1H3
InChIKeyCEFYRHKEFRHEIC-UHFFFAOYSA-N
XLogP4.05
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
The IUPAC name of N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine (CID 118724295) is N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine is CN(CCCN1CCc2c([nH]c3ccccc23)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
The InChIKey is CEFYRHKEFRHEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-24(16-18-8-3-2-4-9-18)13-7-14-25-15-12-20-19-10-5-6-11-21(19)23-22(20)17-25/h2-6,8-11,23H,7,12-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine?
N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine has a molecular weight of 333.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-amine is sourced from PubChem (CID 118724295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).