N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine

C28H60N2O — CID 19822685

IUPACN-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)CCOCCN(CCCCCC)CCCCCC
InChIInChI=1S/C28H60N2O/c1-5-9-13-17-21-29(22-18-14-10-6-2)25-27-31-28-26-30(23-19-15-11-7-3)24-20-16-12-8-4/h5-28H2,1-4H3
InChIKeyWNEAODJLHUIXDQ-UHFFFAOYSA-N
MW440.80 g/mol
LogP7.93
Rot. Bonds26

About N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine

N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine (PubChem CID 19822685) has the molecular formula C28H60N2O and a molecular weight of 440.80 g/mol. Its IUPAC name is N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine
PubChem CID19822685
Molecular FormulaC28H60N2O
Molecular Weight440.80 g/mol
Exact Mass440.47
IUPAC NameN-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine
SMILESCCCCCCN(CCCCCC)CCOCCN(CCCCCC)CCCCCC
InChIInChI=1S/C28H60N2O/c1-5-9-13-17-21-29(22-18-14-10-6-2)25-27-31-28-26-30(23-19-15-11-7-3)24-20-16-12-8-4/h5-28H2,1-4H3
InChIKeyWNEAODJLHUIXDQ-UHFFFAOYSA-N
XLogP7.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 57.93
H-Bond Donors ≤ 50
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-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine?
The IUPAC name of N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine (CID 19822685) is N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine.
What is the SMILES notation for N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine?
The canonical SMILES for N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine is CCCCCCN(CCCCCC)CCOCCN(CCCCCC)CCCCCC.
What is the InChIKey of N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine?
The InChIKey is WNEAODJLHUIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2O/c1-5-9-13-17-21-29(22-18-14-10-6-2)25-27-31-28-26-30(23-19-15-11-7-3)24-20-16-12-8-4/h5-28H2,1-4H3.
What are the key properties of N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine?
N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine has a molecular weight of 440.80 g/mol, XLogP of 7.93, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dihexylamino)ethoxy]ethyl]-N-hexylhexan-1-amine is sourced from PubChem (CID 19822685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).