N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine

C15H22N2O — CID 169203165

IUPACN-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
SMILESCCN(C)C(C)Cc1ccn2ccc(OC)cc12
InChIInChI=1S/C15H22N2O/c1-5-16(3)12(2)10-13-6-8-17-9-7-14(18-4)11-15(13)17/h6-9,11-12H,5,10H2,1-4H3
InChIKeyNYPVPVLUOVOUCW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine

N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine (PubChem CID 169203165) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
PubChem CID169203165
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
SMILESCCN(C)C(C)Cc1ccn2ccc(OC)cc12
InChIInChI=1S/C15H22N2O/c1-5-16(3)12(2)10-13-6-8-17-9-7-14(18-4)11-15(13)17/h6-9,11-12H,5,10H2,1-4H3
InChIKeyNYPVPVLUOVOUCW-UHFFFAOYSA-N
XLogP2.83
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine?
The IUPAC name of N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine (CID 169203165) is N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine is CCN(C)C(C)Cc1ccn2ccc(OC)cc12.
What is the InChIKey of N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine?
The InChIKey is NYPVPVLUOVOUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-16(3)12(2)10-13-6-8-17-9-7-14(18-4)11-15(13)17/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine?
N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 169203165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).