5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine

C12H22F3NO — CID 103216267

IUPAC5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(COCC(F)(F)F)NCCC
InChIInChI=1S/C12H22F3NO/c1-4-7-16-11(6-5-10(2)3)8-17-9-12(13,14)15/h11,16H,2,4-9H2,1,3H3
InChIKeyWFSWKWMCNZGVCA-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.29
Rot. Bonds9

About 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine

5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine (PubChem CID 103216267) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
PubChem CID103216267
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(COCC(F)(F)F)NCCC
InChIInChI=1S/C12H22F3NO/c1-4-7-16-11(6-5-10(2)3)8-17-9-12(13,14)15/h11,16H,2,4-9H2,1,3H3
InChIKeyWFSWKWMCNZGVCA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4Z)-N-ethyl-4-(fluoromethylidene)-2-propoxyhexan-3-amine
CID 177009735
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
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-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593
5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148725
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148753
1-(2,2-difluoroethoxy)-N,5-dimethylhex-5-en-3-amine
CID 103149149
1-(2,2-difluoroethoxy)-N-methyl-5-methylideneheptan-3-amine
CID 103149287
1-(2,2-difluoroethoxy)-N,6-dimethylhept-6-en-3-amine
CID 103149334

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
The IUPAC name of 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine (CID 103216267) is 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
The canonical SMILES for 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine is C=C(C)CCC(COCC(F)(F)F)NCCC.
What is the InChIKey of 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
The InChIKey is WFSWKWMCNZGVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-7-16-11(6-5-10(2)3)8-17-9-12(13,14)15/h11,16H,2,4-9H2,1,3H3.
What are the key properties of 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-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 5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine is sourced from PubChem (CID 103216267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).