N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine

C18H28N2O — CID 80649420

IUPACN-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
SMILESCCCOc1ccc2c(ccn2CCNC(CC)CC)c1
InChIInChI=1S/C18H28N2O/c1-4-13-21-17-7-8-18-15(14-17)9-11-20(18)12-10-19-16(5-2)6-3/h7-9,11,14,16,19H,4-6,10,12-13H2,1-3H3
InChIKeyPZQLAXVAAQTXSZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.21
Rot. Bonds9

About N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine

N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine (PubChem CID 80649420) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
PubChem CID80649420
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
SMILESCCCOc1ccc2c(ccn2CCNC(CC)CC)c1
InChIInChI=1S/C18H28N2O/c1-4-13-21-17-7-8-18-15(14-17)9-11-20(18)12-10-19-16(5-2)6-3/h7-9,11,14,16,19H,4-6,10,12-13H2,1-3H3
InChIKeyPZQLAXVAAQTXSZ-UHFFFAOYSA-N
XLogP4.21
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559
5-(5-propoxyindol-1-yl)pentanehydrazide
CID 80649567
2,2-dimethyl-5-(5-propoxyindol-1-yl)pentanenitrile
CID 116625622
1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole
CID 80649263

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine (CID 80649420) is N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine is CCCOc1ccc2c(ccn2CCNC(CC)CC)c1.
What is the InChIKey of N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine?
The InChIKey is PZQLAXVAAQTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-13-21-17-7-8-18-15(14-17)9-11-20(18)12-10-19-16(5-2)6-3/h7-9,11,14,16,19H,4-6,10,12-13H2,1-3H3.
What are the key properties of N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine?
N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 4.21, 9 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]pentan-3-amine is sourced from PubChem (CID 80649420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).