6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine

C11H20F3N — CID 123519237

IUPAC6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
SMILESCCCN(C)CCC=C(C)CC(F)(F)F
InChIInChI=1S/C11H20F3N/c1-4-7-15(3)8-5-6-10(2)9-11(12,13)14/h6H,4-5,7-9H2,1-3H3
InChIKeyNPIYPBDFIZLNEC-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.62
Rot. Bonds6

About 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine

6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine (PubChem CID 123519237) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
PubChem CID123519237
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
SMILESCCCN(C)CCC=C(C)CC(F)(F)F
InChIInChI=1S/C11H20F3N/c1-4-7-15(3)8-5-6-10(2)9-11(12,13)14/h6H,4-5,7-9H2,1-3H3
InChIKeyNPIYPBDFIZLNEC-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylamino-4-methyl-pentene-3
CID 12545385
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
Diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
CID 54504163
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 127668747
(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine
CID 129156684

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine?
The IUPAC name of 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine (CID 123519237) is 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine?
The canonical SMILES for 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine is CCCN(C)CCC=C(C)CC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine?
The InChIKey is NPIYPBDFIZLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-4-7-15(3)8-5-6-10(2)9-11(12,13)14/h6H,4-5,7-9H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine?
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine is sourced from PubChem (CID 123519237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).