2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine

C15H20N2O — CID 70608386

IUPAC2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine
SMILESCCNC(C)(N)COc1cccc2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-17-15(2,16)11-18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,17H,3,11,16H2,1-2H3
InChIKeyRCSVCGPTERQUQG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.50
Rot. Bonds5

About 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine

2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine (PubChem CID 70608386) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine.

Molecular Properties

Compound Name2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine
PubChem CID70608386
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine
SMILESCCNC(C)(N)COc1cccc2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-17-15(2,16)11-18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,17H,3,11,16H2,1-2H3
InChIKeyRCSVCGPTERQUQG-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine?
The IUPAC name of 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine (CID 70608386) is 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine.
What is the SMILES notation for 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine?
The canonical SMILES for 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine is CCNC(C)(N)COc1cccc2ccccc12.
What is the InChIKey of 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine?
The InChIKey is RCSVCGPTERQUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-17-15(2,16)11-18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,17H,3,11,16H2,1-2H3.
What are the key properties of 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine?
2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethyl-1-naphthalen-1-yloxypropane-2,2-diamine is sourced from PubChem (CID 70608386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).