N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine

C16H34N2O — CID 55225955

IUPACN-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
SMILESCCOCCN(CC)CC(CC)(CC)CNC1CC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2,13-17-15-9-10-15)14-18(7-3)11-12-19-8-4/h15,17H,5-14H2,1-4H3
InChIKeyUHHMRHRXYHLHFD-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds12

About N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine

N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine (PubChem CID 55225955) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
PubChem CID55225955
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
SMILESCCOCCN(CC)CC(CC)(CC)CNC1CC1
InChIInChI=1S/C16H34N2O/c1-5-16(6-2,13-17-15-9-10-15)14-18(7-3)11-12-19-8-4/h15,17H,5-14H2,1-4H3
InChIKeyUHHMRHRXYHLHFD-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine (CID 55225955) is N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine is CCOCCN(CC)CC(CC)(CC)CNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine?
The InChIKey is UHHMRHRXYHLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-16(6-2,13-17-15-9-10-15)14-18(7-3)11-12-19-8-4/h15,17H,5-14H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine?
N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine is sourced from PubChem (CID 55225955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).