N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine

C17H26N2O — CID 80643035

IUPACN-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
SMILESCCCOc1ccc2c(ccn2CCNC(C)CC)c1
InChIInChI=1S/C17H26N2O/c1-4-12-20-16-6-7-17-15(13-16)8-10-19(17)11-9-18-14(3)5-2/h6-8,10,13-14,18H,4-5,9,11-12H2,1-3H3
InChIKeyZYFWLKKUTYAIAQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.82
Rot. Bonds8

About N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine

N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine (PubChem CID 80643035) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
PubChem CID80643035
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
SMILESCCCOc1ccc2c(ccn2CCNC(C)CC)c1
InChIInChI=1S/C17H26N2O/c1-4-12-20-16-6-7-17-15(13-16)8-10-19(17)11-9-18-14(3)5-2/h6-8,10,13-14,18H,4-5,9,11-12H2,1-3H3
InChIKeyZYFWLKKUTYAIAQ-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

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Related Compounds

N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420
N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
CID 63556189
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
N-[2-(6-methylindol-1-yl)ethyl]butan-2-amine
CID 62562519
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine (CID 80643035) is N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine is CCCOc1ccc2c(ccn2CCNC(C)CC)c1.
What is the InChIKey of N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine?
The InChIKey is ZYFWLKKUTYAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-12-20-16-6-7-17-15(13-16)8-10-19(17)11-9-18-14(3)5-2/h6-8,10,13-14,18H,4-5,9,11-12H2,1-3H3.
What are the key properties of N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine?
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-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-(5-propoxyindol-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 80643035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).