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

C33H69NO2 — CID 118244395

IUPAC2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)CN(C)CCCOCCOC
InChIInChI=1S/C33H69NO2/c1-5-7-9-11-13-15-17-19-21-23-26-33(32-34(3)28-25-29-36-31-30-35-4)27-24-22-20-18-16-14-12-10-8-6-2/h33H,5-32H2,1-4H3
InChIKeyDYFLUSGNJZIGOW-UHFFFAOYSA-N
MW511.92 g/mol
LogP10.21
Rot. Bonds31

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

2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine (PubChem CID 118244395) has the molecular formula C33H69NO2 and a molecular weight of 511.92 g/mol. Its IUPAC name is 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine.

Molecular Properties

Compound Name2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine
PubChem CID118244395
Molecular FormulaC33H69NO2
Molecular Weight511.92 g/mol
Exact Mass511.53
IUPAC Name2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)CN(C)CCCOCCOC
InChIInChI=1S/C33H69NO2/c1-5-7-9-11-13-15-17-19-21-23-26-33(32-34(3)28-25-29-36-31-30-35-4)27-24-22-20-18-16-14-12-10-8-6-2/h33H,5-32H2,1-4H3
InChIKeyDYFLUSGNJZIGOW-UHFFFAOYSA-N
XLogP10.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.92
LogP ≤ 510.21
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 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine?
The IUPAC name of 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine (CID 118244395) is 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine.
What is the SMILES notation for 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine?
The canonical SMILES for 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine is CCCCCCCCCCCCC(CCCCCCCCCCCC)CN(C)CCCOCCOC.
What is the InChIKey of 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine?
The InChIKey is DYFLUSGNJZIGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69NO2/c1-5-7-9-11-13-15-17-19-21-23-26-33(32-34(3)28-25-29-36-31-30-35-4)27-24-22-20-18-16-14-12-10-8-6-2/h33H,5-32H2,1-4H3.
What are the key properties of 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine?
2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine has a molecular weight of 511.92 g/mol, XLogP of 10.21, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N-[3-(2-methoxyethoxy)propyl]-N-methyltetradecan-1-amine is sourced from PubChem (CID 118244395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).