1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine

C18H28N2O — CID 106457576

IUPAC1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2c(ccn2CCOCC(C)C)c1
InChIInChI=1S/C18H28N2O/c1-4-17(19)12-15-5-6-18-16(11-15)7-8-20(18)9-10-21-13-14(2)3/h5-8,11,14,17H,4,9-10,12-13,19H2,1-3H3
InChIKeyIYLZDMZSCTXOQX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.59
Rot. Bonds8

About 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine

1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine (PubChem CID 106457576) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
PubChem CID106457576
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2c(ccn2CCOCC(C)C)c1
InChIInChI=1S/C18H28N2O/c1-4-17(19)12-15-5-6-18-16(11-15)7-8-20(18)9-10-21-13-14(2)3/h5-8,11,14,17H,4,9-10,12-13,19H2,1-3H3
InChIKeyIYLZDMZSCTXOQX-UHFFFAOYSA-N
XLogP3.59
TPSA40.18 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 ≤ 53.59
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

1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
CID 107920442
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
CID 102917957
1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
CID 102917685
2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
CID 102915452
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine?
The IUPAC name of 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine (CID 106457576) is 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine?
The canonical SMILES for 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine is CCC(N)Cc1ccc2c(ccn2CCOCC(C)C)c1.
What is the InChIKey of 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine?
The InChIKey is IYLZDMZSCTXOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-17(19)12-15-5-6-18-16(11-15)7-8-20(18)9-10-21-13-14(2)3/h5-8,11,14,17H,4,9-10,12-13,19H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine?
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine is sourced from PubChem (CID 106457576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).