N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine

C16H24N2 — CID 115106965

IUPACN-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
SMILESCNCCCc1cccc2c1ccn2CC(C)C
InChIInChI=1S/C16H24N2/c1-13(2)12-18-11-9-15-14(7-5-10-17-3)6-4-8-16(15)18/h4,6,8-9,11,13,17H,5,7,10,12H2,1-3H3
InChIKeyDLHFMHXFLZSLDW-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine

N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine (PubChem CID 115106965) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
PubChem CID115106965
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
SMILESCNCCCc1cccc2c1ccn2CC(C)C
InChIInChI=1S/C16H24N2/c1-13(2)12-18-11-9-15-14(7-5-10-17-3)6-4-8-16(15)18/h4,6,8-9,11,13,17H,5,7,10,12H2,1-3H3
InChIKeyDLHFMHXFLZSLDW-UHFFFAOYSA-N
XLogP3.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-[1-(2-methylpropyl)indol-4-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

Related Compounds

1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
CID 65279152
4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one
CID 105479635
4-(4-bromoindol-1-yl)-N-methylbutan-1-amine
CID 115352042
1-[4-(aminomethyl)indol-1-yl]-3-methylbutan-2-ol
CID 114249890
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
N-methyl-1-(1-propylindol-4-yl)propan-2-amine
CID 115106942
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
CID 104649927
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
3-[3-(methylamino)propyl]benzene-1,2-diol
CID 84732350
1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
1-(4-chloroindol-1-yl)-3-(methylamino)propan-2-ol
CID 141278113
1-(4-methylpentyl)indol-4-amine
CID 83157136

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine (CID 115106965) is N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine is CNCCCc1cccc2c1ccn2CC(C)C.
What is the InChIKey of N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine?
The InChIKey is DLHFMHXFLZSLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)12-18-11-9-15-14(7-5-10-17-3)6-4-8-16(15)18/h4,6,8-9,11,13,17H,5,7,10,12H2,1-3H3.
What are the key properties of N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine?
N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine is sourced from PubChem (CID 115106965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).