2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine

C13H26F3N — CID 114899272

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
SMILESCCCCCCCCC(C)CNCC(F)(F)F
InChIInChI=1S/C13H26F3N/c1-3-4-5-6-7-8-9-12(2)10-17-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyCEHZFSDKUGYTPX-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.53
Rot. Bonds10

About 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine

2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine (PubChem CID 114899272) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
PubChem CID114899272
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
SMILESCCCCCCCCC(C)CNCC(F)(F)F
InChIInChI=1S/C13H26F3N/c1-3-4-5-6-7-8-9-12(2)10-17-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyCEHZFSDKUGYTPX-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.53
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

iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine
CID 172681101
1,1,1-trifluoro-4-methyldecane
CID 147899191
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
N-(2-methylnonyl)formamide
CID 146433499
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
N-(2-methyloctyl)hydroxylamine
CID 174230659
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
N-iodo-2-methylundecan-1-amine
CID 163764943
(11R,17S)-11,17-dimethylhentriacontane
CID 11762375
12,22-dimethylhexatriacontane
CID 6430382
10,18-dimethyloctacosane
CID 86203537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine (CID 114899272) is 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine is CCCCCCCCC(C)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine?
The InChIKey is CEHZFSDKUGYTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N/c1-3-4-5-6-7-8-9-12(2)10-17-11-13(14,15)16/h12,17H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine?
2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine is sourced from PubChem (CID 114899272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).