N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine

C38H80N2O2 — CID 90206597

IUPACN-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SMILESCCCCC(CC)CN(CCOCCOCCN(CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C38H80N2O2/c1-9-17-21-35(13-5)31-39(32-36(14-6)22-18-10-2)25-27-41-29-30-42-28-26-40(33-37(15-7)23-19-11-3)34-38(16-8)24-20-12-4/h35-38H,9-34H2,1-8H3
InChIKeyRDGYYDYPIDCPFC-UHFFFAOYSA-N
MW597.07 g/mol
LogP10.49
Rot. Bonds33

About N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine

N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine (PubChem CID 90206597) has the molecular formula C38H80N2O2 and a molecular weight of 597.07 g/mol. Its IUPAC name is N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
PubChem CID90206597
Molecular FormulaC38H80N2O2
Molecular Weight597.07 g/mol
Exact Mass596.62
IUPAC NameN-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SMILESCCCCC(CC)CN(CCOCCOCCN(CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C38H80N2O2/c1-9-17-21-35(13-5)31-39(32-36(14-6)22-18-10-2)25-27-41-29-30-42-28-26-40(33-37(15-7)23-19-11-3)34-38(16-8)24-20-12-4/h35-38H,9-34H2,1-8H3
InChIKeyRDGYYDYPIDCPFC-UHFFFAOYSA-N
XLogP10.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.07
LogP ≤ 510.49
H-Bond Donors ≤ 50
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-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The IUPAC name of N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine (CID 90206597) is N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine.
What is the SMILES notation for N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The canonical SMILES for N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine is CCCCC(CC)CN(CCOCCOCCN(CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The InChIKey is RDGYYDYPIDCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80N2O2/c1-9-17-21-35(13-5)31-39(32-36(14-6)22-18-10-2)25-27-41-29-30-42-28-26-40(33-37(15-7)23-19-11-3)34-38(16-8)24-20-12-4/h35-38H,9-34H2,1-8H3.
What are the key properties of N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine has a molecular weight of 597.07 g/mol, XLogP of 10.49, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[bis(2-ethylhexyl)amino]ethoxy]ethoxy]ethyl]-2-ethyl-N-(2-ethylhexyl)hexan-1-amine is sourced from PubChem (CID 90206597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).