N,N'-dibutyl-N'-ethoxyethane-1,2-diamine

C12H28N2O — CID 174428408

IUPACN,N'-dibutyl-N'-ethoxyethane-1,2-diamine
SMILESCCCCNCCN(CCCC)OCC
InChIInChI=1S/C12H28N2O/c1-4-7-9-13-10-12-14(15-6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKeySZUIYJAMQUCROP-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.43
Rot. Bonds11

About N,N'-dibutyl-N'-ethoxyethane-1,2-diamine

N,N'-dibutyl-N'-ethoxyethane-1,2-diamine (PubChem CID 174428408) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N,N'-dibutyl-N'-ethoxyethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dibutyl-N'-ethoxyethane-1,2-diamine
PubChem CID174428408
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN,N'-dibutyl-N'-ethoxyethane-1,2-diamine
SMILESCCCCNCCN(CCCC)OCC
InChIInChI=1S/C12H28N2O/c1-4-7-9-13-10-12-14(15-6-3)11-8-5-2/h13H,4-12H2,1-3H3
InChIKeySZUIYJAMQUCROP-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-N'-ethoxyethane-1,2-diamine?
The IUPAC name of N,N'-dibutyl-N'-ethoxyethane-1,2-diamine (CID 174428408) is N,N'-dibutyl-N'-ethoxyethane-1,2-diamine.
What is the SMILES notation for N,N'-dibutyl-N'-ethoxyethane-1,2-diamine?
The canonical SMILES for N,N'-dibutyl-N'-ethoxyethane-1,2-diamine is CCCCNCCN(CCCC)OCC.
What is the InChIKey of N,N'-dibutyl-N'-ethoxyethane-1,2-diamine?
The InChIKey is SZUIYJAMQUCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-7-9-13-10-12-14(15-6-3)11-8-5-2/h13H,4-12H2,1-3H3.
What are the key properties of N,N'-dibutyl-N'-ethoxyethane-1,2-diamine?
N,N'-dibutyl-N'-ethoxyethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N'-ethoxyethane-1,2-diamine is sourced from PubChem (CID 174428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).