N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine

C17H26N2O — CID 80643034

IUPACN-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCCOc1ccc2c(ccn2CCCNCC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-4-20-16-6-7-17-15(12-16)8-11-19(17)10-5-9-18-13-14(2)3/h6-8,11-12,14,18H,4-5,9-10,13H2,1-3H3
InChIKeyBJPSQQNYAHAPDL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.68
Rot. Bonds8

About N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine

N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 80643034) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID80643034
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
SMILESCCOc1ccc2c(ccn2CCCNCC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-4-20-16-6-7-17-15(12-16)8-11-19(17)10-5-9-18-13-14(2)3/h6-8,11-12,14,18H,4-5,9-10,13H2,1-3H3
InChIKeyBJPSQQNYAHAPDL-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
2-methyl-N-[2-(5-methylindol-1-yl)ethyl]propan-1-amine
CID 63556206
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
N-[2-(5-ethoxy-1-methylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82334825
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine (CID 80643034) is N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine is CCOc1ccc2c(ccn2CCCNCC(C)C)c1.
What is the InChIKey of N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is BJPSQQNYAHAPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-20-16-6-7-17-15(12-16)8-11-19(17)10-5-9-18-13-14(2)3/h6-8,11-12,14,18H,4-5,9-10,13H2,1-3H3.
What are the key properties of N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine?
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80643034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).