N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine

C9H22N2O — CID 54807023

IUPACN-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCCCNCCNCCOC
InChIInChI=1S/C9H22N2O/c1-3-4-5-10-6-7-11-8-9-12-2/h10-11H,3-9H2,1-2H3
InChIKeyYTQIUMBYQBSHOF-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.61
Rot. Bonds9

About N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine

N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 54807023) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID54807023
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCCCNCCNCCOC
InChIInChI=1S/C9H22N2O/c1-3-4-5-10-6-7-11-8-9-12-2/h10-11H,3-9H2,1-2H3
InChIKeyYTQIUMBYQBSHOF-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.61
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-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine (CID 54807023) is N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine is CCCCNCCNCCOC.
What is the InChIKey of N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is YTQIUMBYQBSHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-4-5-10-6-7-11-8-9-12-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine?
N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 54807023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).