1,1,1-trifluoro-N-propyldodecan-4-amine

C15H30F3N — CID 79964145

IUPAC1,1,1-trifluoro-N-propyldodecan-4-amine
SMILESCCCCCCCCC(CCC(F)(F)F)NCCC
InChIInChI=1S/C15H30F3N/c1-3-5-6-7-8-9-10-14(19-13-4-2)11-12-15(16,17)18/h14,19H,3-13H2,1-2H3
InChIKeyCZTSQANCHBUKFX-UHFFFAOYSA-N
MW281.41 g/mol
LogP5.45
Rot. Bonds12

About 1,1,1-trifluoro-N-propyldodecan-4-amine

1,1,1-trifluoro-N-propyldodecan-4-amine (PubChem CID 79964145) has the molecular formula C15H30F3N and a molecular weight of 281.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propyldodecan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propyldodecan-4-amine
PubChem CID79964145
Molecular FormulaC15H30F3N
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Name1,1,1-trifluoro-N-propyldodecan-4-amine
SMILESCCCCCCCCC(CCC(F)(F)F)NCCC
InChIInChI=1S/C15H30F3N/c1-3-5-6-7-8-9-10-14(19-13-4-2)11-12-15(16,17)18/h14,19H,3-13H2,1-2H3
InChIKeyCZTSQANCHBUKFX-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-propyldodecan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
3-(propylamino)dodecan-1-ol
CID 114078400
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
1-methoxy-N-propyldodecan-4-amine
CID 65091880
N-propylundec-1-yn-5-amine
CID 115859385
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-en-5-amine
CID 104987530
1-ethylsulfanyl-5,5,5-trifluoro-N-propylpentan-2-amine
CID 65128350
N-propyldodec-1-yn-5-amine
CID 115859300
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516904
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propyldodecan-4-amine?
The IUPAC name of 1,1,1-trifluoro-N-propyldodecan-4-amine (CID 79964145) is 1,1,1-trifluoro-N-propyldodecan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propyldodecan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propyldodecan-4-amine is CCCCCCCCC(CCC(F)(F)F)NCCC.
What is the InChIKey of 1,1,1-trifluoro-N-propyldodecan-4-amine?
The InChIKey is CZTSQANCHBUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N/c1-3-5-6-7-8-9-10-14(19-13-4-2)11-12-15(16,17)18/h14,19H,3-13H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propyldodecan-4-amine?
1,1,1-trifluoro-N-propyldodecan-4-amine has a molecular weight of 281.41 g/mol, XLogP of 5.45, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propyldodecan-4-amine is sourced from PubChem (CID 79964145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).