N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine

C10H18F3NO — CID 103148352

IUPACN,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
SMILESCNC(C=C(C)C)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)6-9(14-3)4-5-15-7-10(11,12)13/h6,9,14H,4-5,7H2,1-3H3
InChIKeyPQFBCCBBJFHQKO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds6

About N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine

N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine (PubChem CID 103148352) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
PubChem CID103148352
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
SMILESCNC(C=C(C)C)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)6-9(14-3)4-5-15-7-10(11,12)13/h6,9,14H,4-5,7H2,1-3H3
InChIKeyPQFBCCBBJFHQKO-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[3-(Dimethylamino)propoxy]-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 163896764
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148083
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148571
N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148691
2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148695
5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148733
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-amine
CID 103148966
5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine
CID 103149207

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine?
The IUPAC name of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine (CID 103148352) is N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine?
The canonical SMILES for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine is CNC(C=C(C)C)CCOCC(F)(F)F.
What is the InChIKey of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine?
The InChIKey is PQFBCCBBJFHQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)6-9(14-3)4-5-15-7-10(11,12)13/h6,9,14H,4-5,7H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine?
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine is sourced from PubChem (CID 103148352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).