1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine

C10H18F3N — CID 79179782

IUPAC1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine
SMILESC=C(C)CC(CC(F)(F)F)NCCC
InChIInChI=1S/C10H18F3N/c1-4-5-14-9(6-8(2)3)7-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyPFYGXJKEVHYSIC-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds6

About 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine

1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine (PubChem CID 79179782) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine
PubChem CID79179782
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine
SMILESC=C(C)CC(CC(F)(F)F)NCCC
InChIInChI=1S/C10H18F3N/c1-4-5-14-9(6-8(2)3)7-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyPFYGXJKEVHYSIC-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine (CID 79179782) is 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine is C=C(C)CC(CC(F)(F)F)NCCC.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine?
The InChIKey is PFYGXJKEVHYSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-4-5-14-9(6-8(2)3)7-10(11,12)13/h9,14H,2,4-7H2,1,3H3.
What are the key properties of 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine?
1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine is sourced from PubChem (CID 79179782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).