5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine

C9H16F3N — CID 79598087

IUPAC5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-6-13-7-4-5-8(2)9(10,11)12/h5,13H,3-4,6-7H2,1-2H3
InChIKeyXMXHEVTWCPNVOM-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds5

About 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine

5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79598087) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79598087
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-6-13-7-4-5-8(2)9(10,11)12/h5,13H,3-4,6-7H2,1-2H3
InChIKeyXMXHEVTWCPNVOM-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
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 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine (CID 79598087) is 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is XMXHEVTWCPNVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-6-13-7-4-5-8(2)9(10,11)12/h5,13H,3-4,6-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine?
5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).