2-fluoro-N,13-dimethylpentadecan-2-amine

C17H36FN — CID 134365966

IUPAC2-fluoro-N,13-dimethylpentadecan-2-amine
SMILESCCC(C)CCCCCCCCCCC(C)(F)NC
InChIInChI=1S/C17H36FN/c1-5-16(2)14-12-10-8-6-7-9-11-13-15-17(3,18)19-4/h16,19H,5-15H2,1-4H3
InChIKeyPVKNOUKWXBOZFJ-UHFFFAOYSA-N
MW273.48 g/mol
LogP5.84
Rot. Bonds13

About 2-fluoro-N,13-dimethylpentadecan-2-amine

2-fluoro-N,13-dimethylpentadecan-2-amine (PubChem CID 134365966) has the molecular formula C17H36FN and a molecular weight of 273.48 g/mol. Its IUPAC name is 2-fluoro-N,13-dimethylpentadecan-2-amine.

Molecular Properties

Compound Name2-fluoro-N,13-dimethylpentadecan-2-amine
PubChem CID134365966
Molecular FormulaC17H36FN
Molecular Weight273.48 g/mol
Exact Mass273.28
IUPAC Name2-fluoro-N,13-dimethylpentadecan-2-amine
SMILESCCC(C)CCCCCCCCCCC(C)(F)NC
InChIInChI=1S/C17H36FN/c1-5-16(2)14-12-10-8-6-7-9-11-13-15-17(3,18)19-4/h16,19H,5-15H2,1-4H3
InChIKeyPVKNOUKWXBOZFJ-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
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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Related Compounds

2,2,13-trimethylpentadecane
CID 150334228
2,8-dimethyldecan-2-ol
CID 122367233
2,11,23-trimethylpentacosane
CID 123728262
2,2,3,10-tetramethyldodecane
CID 123238890
3,7,7-trimethyltridecane
CID 123996242
2,6,13-trimethylpentadecane
CID 123742386
2,2,6-trimethyloctane
CID 522006
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
(3R)-3-methyltetracosane
CID 162842417
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,13-dimethylpentadecan-2-amine?
The IUPAC name of 2-fluoro-N,13-dimethylpentadecan-2-amine (CID 134365966) is 2-fluoro-N,13-dimethylpentadecan-2-amine.
What is the SMILES notation for 2-fluoro-N,13-dimethylpentadecan-2-amine?
The canonical SMILES for 2-fluoro-N,13-dimethylpentadecan-2-amine is CCC(C)CCCCCCCCCCC(C)(F)NC.
What is the InChIKey of 2-fluoro-N,13-dimethylpentadecan-2-amine?
The InChIKey is PVKNOUKWXBOZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36FN/c1-5-16(2)14-12-10-8-6-7-9-11-13-15-17(3,18)19-4/h16,19H,5-15H2,1-4H3.
What are the key properties of 2-fluoro-N,13-dimethylpentadecan-2-amine?
2-fluoro-N,13-dimethylpentadecan-2-amine has a molecular weight of 273.48 g/mol, XLogP of 5.84, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,13-dimethylpentadecan-2-amine is sourced from PubChem (CID 134365966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).