N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

C12H22F3NO — CID 103148593

IUPACN-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=C(C)CCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C12H22F3NO/c1-4-16-11(6-5-10(2)3)7-8-17-9-12(13,14)15/h11,16H,2,4-9H2,1,3H3
InChIKeyYDADNMREDIAUIS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.29
Rot. Bonds9

About N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (PubChem CID 103148593) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
PubChem CID103148593
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=C(C)CCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C12H22F3NO/c1-4-16-11(6-5-10(2)3)7-8-17-9-12(13,14)15/h11,16H,2,4-9H2,1,3H3
InChIKeyYDADNMREDIAUIS-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The IUPAC name of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (CID 103148593) is N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The canonical SMILES for N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine is C=C(C)CCC(CCOCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The InChIKey is YDADNMREDIAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-16-11(6-5-10(2)3)7-8-17-9-12(13,14)15/h11,16H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine is sourced from PubChem (CID 103148593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).