2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine

C14H24F3N — CID 174191833

IUPAC2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNCCC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-4-7-13(8-5-2,9-6-3)12-18-11-10-14(15,16)17/h4-5,18H,1-2,6-12H2,3H3
InChIKeyUHKCYOPYMIXUQX-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.47
Rot. Bonds10

About 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine

2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine (PubChem CID 174191833) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine
PubChem CID174191833
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNCCC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-4-7-13(8-5-2,9-6-3)12-18-11-10-14(15,16)17/h4-5,18H,1-2,6-12H2,3H3
InChIKeyUHKCYOPYMIXUQX-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine?
The IUPAC name of 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine (CID 174191833) is 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine.
What is the SMILES notation for 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine?
The canonical SMILES for 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine is C=CCC(CC=C)(CCC)CNCCC(F)(F)F.
What is the InChIKey of 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine?
The InChIKey is UHKCYOPYMIXUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-4-7-13(8-5-2,9-6-3)12-18-11-10-14(15,16)17/h4-5,18H,1-2,6-12H2,3H3.
What are the key properties of 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine?
2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine is sourced from PubChem (CID 174191833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).