N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine

C22H48N2O2 — CID 14389682

IUPACN'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine
SMILESCCCCCCCCCCCCCCOCCOCCNCCCCN
InChIInChI=1S/C22H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-25-21-22-26-20-18-24-17-14-13-16-23/h24H,2-23H2,1H3
InChIKeyOICDHMMGOOEDNZ-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.05
Rot. Bonds23

About N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine

N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine (PubChem CID 14389682) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine
PubChem CID14389682
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC NameN'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine
SMILESCCCCCCCCCCCCCCOCCOCCNCCCCN
InChIInChI=1S/C22H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-25-21-22-26-20-18-24-17-14-13-16-23/h24H,2-23H2,1H3
InChIKeyOICDHMMGOOEDNZ-UHFFFAOYSA-N
XLogP5.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tetradecoxyethoxy)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine (CID 14389682) is N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine is CCCCCCCCCCCCCCOCCOCCNCCCCN.
What is the InChIKey of N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine?
The InChIKey is OICDHMMGOOEDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-25-21-22-26-20-18-24-17-14-13-16-23/h24H,2-23H2,1H3.
What are the key properties of N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine?
N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine has a molecular weight of 372.64 g/mol, XLogP of 5.05, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-tetradecoxyethoxy)ethyl]butane-1,4-diamine is sourced from PubChem (CID 14389682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).