N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine

C17H26N2O — CID 83163508

IUPACN-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C17H26N2O/c1-4-5-10-18-11-13-19-12-9-15-16(19)7-6-8-17(15)20-14(2)3/h6-9,12,14,18H,4-5,10-11,13H2,1-3H3
InChIKeyWIHGRWHZMCBZGR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine

N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine (PubChem CID 83163508) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
PubChem CID83163508
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C17H26N2O/c1-4-5-10-18-11-13-19-12-9-15-16(19)7-6-8-17(15)20-14(2)3/h6-9,12,14,18H,4-5,10-11,13H2,1-3H3
InChIKeyWIHGRWHZMCBZGR-UHFFFAOYSA-N
XLogP3.82
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-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

3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
2-methyl-N-[2-(4-propoxyindol-1-yl)ethyl]propan-1-amine
CID 83163124
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895
2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
CID 83165281
4-(4-methoxyindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83162352

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine (CID 83163508) is N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine is CCCCNCCn1ccc2c(OC(C)C)cccc21.
What is the InChIKey of N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
The InChIKey is WIHGRWHZMCBZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-10-18-11-13-19-12-9-15-16(19)7-6-8-17(15)20-14(2)3/h6-9,12,14,18H,4-5,10-11,13H2,1-3H3.
What are the key properties of N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 83163508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).