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

C18H28N2O — CID 83164753

IUPAC3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
SMILESCC(C)CCNCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C18H28N2O/c1-14(2)8-10-19-11-13-20-12-9-16-17(20)6-5-7-18(16)21-15(3)4/h5-7,9,12,14-15,19H,8,10-11,13H2,1-4H3
InChIKeyXIBIREQSDVIISA-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds8

About 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine

3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine (PubChem CID 83164753) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
PubChem CID83164753
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
SMILESCC(C)CCNCCn1ccc2c(OC(C)C)cccc21
InChIInChI=1S/C18H28N2O/c1-14(2)8-10-19-11-13-20-12-9-16-17(20)6-5-7-18(16)21-15(3)4/h5-7,9,12,14-15,19H,8,10-11,13H2,1-4H3
InChIKeyXIBIREQSDVIISA-UHFFFAOYSA-N
XLogP4.06
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
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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Related Compounds

N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
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-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
CID 83163450
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058
2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
CID 83165281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine (CID 83164753) is 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine is CC(C)CCNCCn1ccc2c(OC(C)C)cccc21.
What is the InChIKey of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
The InChIKey is XIBIREQSDVIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)8-10-19-11-13-20-12-9-16-17(20)6-5-7-18(16)21-15(3)4/h5-7,9,12,14-15,19H,8,10-11,13H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine?
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 83164753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).