5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine

C13H26F3N — CID 172565220

IUPAC5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine
SMILESCCC(CCCCN)CC(C)CCC(F)(F)F
InChIInChI=1S/C13H26F3N/c1-3-12(6-4-5-9-17)10-11(2)7-8-13(14,15)16/h11-12H,3-10,17H2,1-2H3
InChIKeyPMDCPSJYKDCDNY-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.51
Rot. Bonds9

About 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine

5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine (PubChem CID 172565220) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine.

Molecular Properties

Compound Name5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine
PubChem CID172565220
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine
SMILESCCC(CCCCN)CC(C)CCC(F)(F)F
InChIInChI=1S/C13H26F3N/c1-3-12(6-4-5-9-17)10-11(2)7-8-13(14,15)16/h11-12H,3-10,17H2,1-2H3
InChIKeyPMDCPSJYKDCDNY-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tridecylamine, branched and linear
CID 22833454
Isononanamine
CID 119716
2-Butyl-n-octan-1-amine
CID 18673284
Medelamine A
CID 10353173
1-(4,4-Difluorocyclohexyl)ethan-1-amine
CID 21016048
2-Propylheptan-1-amine
CID 21267775
3,7-Dimethyloctan-1-amine hydrochloride
CID 85854361
2-(4,4-Difluorocyclohexyl)ethan-1-amine hydrochloride
CID 105452554
Medelamine B
CID 10443740
Isodecylamine
CID 102090
1,10-Diamino-3-trifluoromethyl-3,4,4,5,5,6,6,7,7,8,8-undecafluorodecane
CID 10252560
3,7-Dimethyloctan-1-amine
CID 13492945

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine?
The IUPAC name of 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine (CID 172565220) is 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine.
What is the SMILES notation for 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine?
The canonical SMILES for 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine is CCC(CCCCN)CC(C)CCC(F)(F)F.
What is the InChIKey of 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine?
The InChIKey is PMDCPSJYKDCDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N/c1-3-12(6-4-5-9-17)10-11(2)7-8-13(14,15)16/h11-12H,3-10,17H2,1-2H3.
What are the key properties of 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine?
5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10,10,10-trifluoro-7-methyldecan-1-amine is sourced from PubChem (CID 172565220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).