N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine

C12H24N2O — CID 79479050

IUPACN-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine
SMILESNCCOCCNCC(C1CC1)C1CC1
InChIInChI=1S/C12H24N2O/c13-5-7-15-8-6-14-9-12(10-1-2-10)11-3-4-11/h10-12,14H,1-9,13H2
InChIKeyVRPRAFLRCYPOHG-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.99
Rot. Bonds9

About N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine

N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine (PubChem CID 79479050) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine
PubChem CID79479050
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine
SMILESNCCOCCNCC(C1CC1)C1CC1
InChIInChI=1S/C12H24N2O/c13-5-7-15-8-6-14-9-12(10-1-2-10)11-3-4-11/h10-12,14H,1-9,13H2
InChIKeyVRPRAFLRCYPOHG-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine (CID 79479050) is N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine is NCCOCCNCC(C1CC1)C1CC1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine?
The InChIKey is VRPRAFLRCYPOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-5-7-15-8-6-14-9-12(10-1-2-10)11-3-4-11/h10-12,14H,1-9,13H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine?
N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine has a molecular weight of 212.34 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-2,2-dicyclopropylethanamine is sourced from PubChem (CID 79479050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).