N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine

C10H18F3NO — CID 103215713

IUPACN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=C(C)CC(COCC(F)(F)F)NCC
InChIInChI=1S/C10H18F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyXPELJSLBHCDBTJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds7

About N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine

N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (PubChem CID 103215713) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
PubChem CID103215713
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=C(C)CC(COCC(F)(F)F)NCC
InChIInChI=1S/C10H18F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyXPELJSLBHCDBTJ-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
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

N-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3-amine
CID 141535724
(2S,3S,4Z)-N-ethyl-4-(fluoromethylidene)-2-propoxyhexan-3-amine
CID 177009735
2-methylidene-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 66045709
N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
CID 103082750
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
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
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593
2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148695
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (CID 103215713) is N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is C=C(C)CC(COCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The InChIKey is XPELJSLBHCDBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h9,14H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is sourced from PubChem (CID 103215713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).