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

C9H16F3NO — CID 103148287

IUPACN,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
SMILESC=C(C)C(CCOCC(F)(F)F)NC
InChIInChI=1S/C9H16F3NO/c1-7(2)8(13-3)4-5-14-6-9(10,11)12/h8,13H,1,4-6H2,2-3H3
InChIKeyNRGQMFOGKASXKN-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds6

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

N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine (PubChem CID 103148287) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
PubChem CID103148287
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
SMILESC=C(C)C(CCOCC(F)(F)F)NC
InChIInChI=1S/C9H16F3NO/c1-7(2)8(13-3)4-5-14-6-9(10,11)12/h8,13H,1,4-6H2,2-3H3
InChIKeyNRGQMFOGKASXKN-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148016
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
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,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148352
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)hex-5-en-3-amine
CID 103148486
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The IUPAC name of N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine (CID 103148287) is N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine.
What is the SMILES notation for N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The canonical SMILES for N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine is C=C(C)C(CCOCC(F)(F)F)NC.
What is the InChIKey of N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The InChIKey is NRGQMFOGKASXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)8(13-3)4-5-14-6-9(10,11)12/h8,13H,1,4-6H2,2-3H3.
What are the key properties of N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine is sourced from PubChem (CID 103148287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).