5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C12H24F3NO — CID 103148372

IUPAC5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCC(CC)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C12H24F3NO/c1-4-10(5-2)8-11(16-3)6-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyRHCFWKBBSCEYPW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148372) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148372
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCC(CC)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C12H24F3NO/c1-4-10(5-2)8-11(16-3)6-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyRHCFWKBBSCEYPW-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

4-[4-(4,4,4-Trifluorobutoxy)butyl]piperidine
CID 143045350
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148372) is 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCC(CC)CC(CCOCC(F)(F)F)NC.
What is the InChIKey of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is RHCFWKBBSCEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-10(5-2)8-11(16-3)6-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-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 5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).