N-dodecyl-N-(trifluoromethyl)dodecan-1-amine

C25H50F3N — CID 18186054

IUPACN-dodecyl-N-(trifluoromethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(F)(F)F
InChIInChI=1S/C25H50F3N/c1-3-5-7-9-11-13-15-17-19-21-23-29(25(26,27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyIKIWULUCOFKTQJ-UHFFFAOYSA-N
MW421.68 g/mol
LogP9.65
Rot. Bonds22

About N-dodecyl-N-(trifluoromethyl)dodecan-1-amine

N-dodecyl-N-(trifluoromethyl)dodecan-1-amine (PubChem CID 18186054) has the molecular formula C25H50F3N and a molecular weight of 421.68 g/mol. Its IUPAC name is N-dodecyl-N-(trifluoromethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N-(trifluoromethyl)dodecan-1-amine
PubChem CID18186054
Molecular FormulaC25H50F3N
Molecular Weight421.68 g/mol
Exact Mass421.39
IUPAC NameN-dodecyl-N-(trifluoromethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(F)(F)F
InChIInChI=1S/C25H50F3N/c1-3-5-7-9-11-13-15-17-19-21-23-29(25(26,27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyIKIWULUCOFKTQJ-UHFFFAOYSA-N
XLogP9.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.68
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-(trifluoromethyl)dodecan-1-amine?
The IUPAC name of N-dodecyl-N-(trifluoromethyl)dodecan-1-amine (CID 18186054) is N-dodecyl-N-(trifluoromethyl)dodecan-1-amine.
What is the SMILES notation for N-dodecyl-N-(trifluoromethyl)dodecan-1-amine?
The canonical SMILES for N-dodecyl-N-(trifluoromethyl)dodecan-1-amine is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(F)(F)F.
What is the InChIKey of N-dodecyl-N-(trifluoromethyl)dodecan-1-amine?
The InChIKey is IKIWULUCOFKTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50F3N/c1-3-5-7-9-11-13-15-17-19-21-23-29(25(26,27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of N-dodecyl-N-(trifluoromethyl)dodecan-1-amine?
N-dodecyl-N-(trifluoromethyl)dodecan-1-amine has a molecular weight of 421.68 g/mol, XLogP of 9.65, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-(trifluoromethyl)dodecan-1-amine is sourced from PubChem (CID 18186054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).