N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine

C16H24N2O — CID 167499910

IUPACN-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCc1c[nH]c2c1=CC(OCC)CC=2
InChIInChI=1S/C16H24N2O/c1-4-9-18(3)10-8-13-12-17-16-7-6-14(19-5-2)11-15(13)16/h4,7,11-12,14,17H,1,5-6,8-10H2,2-3H3
InChIKeyPSUIQUFEBOWEIX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.04
Rot. Bonds7

About N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine

N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine (PubChem CID 167499910) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
PubChem CID167499910
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CCc1c[nH]c2c1=CC(OCC)CC=2
InChIInChI=1S/C16H24N2O/c1-4-9-18(3)10-8-13-12-17-16-7-6-14(19-5-2)11-15(13)16/h4,7,11-12,14,17H,1,5-6,8-10H2,2-3H3
InChIKeyPSUIQUFEBOWEIX-UHFFFAOYSA-N
XLogP1.04
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine (CID 167499910) is N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine is C=CCN(C)CCc1c[nH]c2c1=CC(OCC)CC=2.
What is the InChIKey of N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
The InChIKey is PSUIQUFEBOWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-9-18(3)10-8-13-12-17-16-7-6-14(19-5-2)11-15(13)16/h4,7,11-12,14,17H,1,5-6,8-10H2,2-3H3.
What are the key properties of N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine?
N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine has a molecular weight of 260.38 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethoxy-5,6-dihydro-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 167499910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).