2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine

C32H67NO2 — CID 118244394

IUPAC2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)CNCCCOCCOC
InChIInChI=1S/C32H67NO2/c1-4-6-8-10-12-14-16-18-20-22-25-32(31-33-27-24-28-35-30-29-34-3)26-23-21-19-17-15-13-11-9-7-5-2/h32-33H,4-31H2,1-3H3
InChIKeyMHXSUQAWGJLQKM-UHFFFAOYSA-N
MW497.89 g/mol
LogP9.87
Rot. Bonds31

About 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine

2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine (PubChem CID 118244394) has the molecular formula C32H67NO2 and a molecular weight of 497.89 g/mol. Its IUPAC name is 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine.

Molecular Properties

Compound Name2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine
PubChem CID118244394
Molecular FormulaC32H67NO2
Molecular Weight497.89 g/mol
Exact Mass497.52
IUPAC Name2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)CNCCCOCCOC
InChIInChI=1S/C32H67NO2/c1-4-6-8-10-12-14-16-18-20-22-25-32(31-33-27-24-28-35-30-29-34-3)26-23-21-19-17-15-13-11-9-7-5-2/h32-33H,4-31H2,1-3H3
InChIKeyMHXSUQAWGJLQKM-UHFFFAOYSA-N
XLogP9.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.89
LogP ≤ 59.87
H-Bond Donors ≤ 51
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 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine?
The IUPAC name of 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine (CID 118244394) is 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine.
What is the SMILES notation for 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine?
The canonical SMILES for 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine is CCCCCCCCCCCCC(CCCCCCCCCCCC)CNCCCOCCOC.
What is the InChIKey of 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine?
The InChIKey is MHXSUQAWGJLQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NO2/c1-4-6-8-10-12-14-16-18-20-22-25-32(31-33-27-24-28-35-30-29-34-3)26-23-21-19-17-15-13-11-9-7-5-2/h32-33H,4-31H2,1-3H3.
What are the key properties of 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine?
2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine has a molecular weight of 497.89 g/mol, XLogP of 9.87, 31 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]tetradecan-1-amine is sourced from PubChem (CID 118244394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).