6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine

C12H24F3NO — CID 54962012

IUPAC6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(2)5-4-6-11(3)16-7-8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyFNUAIRRTCGBGEA-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine

6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine (PubChem CID 54962012) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
PubChem CID54962012
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(2)5-4-6-11(3)16-7-8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyFNUAIRRTCGBGEA-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
4-(3-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 63827485
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
CID 103725355
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
2-(6-methylheptan-2-ylamino)ethanol
CID 61469768
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine?
The IUPAC name of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine (CID 54962012) is 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine?
The canonical SMILES for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine is CC(C)CCCC(C)NCCOCC(F)(F)F.
What is the InChIKey of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine?
The InChIKey is FNUAIRRTCGBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-10(2)5-4-6-11(3)16-7-8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine?
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine is sourced from PubChem (CID 54962012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).