4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine

C11H20F3NO — CID 103215727

IUPAC4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCCCNC(C=C(C)C)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-5-15-10(6-9(2)3)7-16-8-11(12,13)14/h6,10,15H,4-5,7-8H2,1-3H3
InChIKeyXNGMQBPQIFSKHW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.90
Rot. Bonds7

About 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine

4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (PubChem CID 103215727) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
PubChem CID103215727
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCCCNC(C=C(C)C)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-5-15-10(6-9(2)3)7-16-8-11(12,13)14/h6,10,15H,4-5,7-8H2,1-3H3
InChIKeyXNGMQBPQIFSKHW-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (CID 103215727) is 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is CCCNC(C=C(C)C)COCC(F)(F)F.
What is the InChIKey of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The InChIKey is XNGMQBPQIFSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-5-15-10(6-9(2)3)7-16-8-11(12,13)14/h6,10,15H,4-5,7-8H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is sourced from PubChem (CID 103215727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).