6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine

C10H18F3N — CID 79965094

IUPAC6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine
SMILESC=C(C)C(CCC(F)(F)F)NCCC
InChIInChI=1S/C10H18F3N/c1-4-7-14-9(8(2)3)5-6-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyLPHLMNNMWYODSS-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds6

About 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine

6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine (PubChem CID 79965094) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine
PubChem CID79965094
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine
SMILESC=C(C)C(CCC(F)(F)F)NCCC
InChIInChI=1S/C10H18F3N/c1-4-7-14-9(8(2)3)5-6-10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyLPHLMNNMWYODSS-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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Related Compounds

2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 23109108
6,6-difluoro-N,5-dimethyl-2-methylidenehex-5-en-1-amine
CID 58962877
N-ethyl-2-fluoro-4-methylidenecyclohexan-1-amine
CID 90694359
N-ethyl-2-fluoro-5-methylidenecyclohexan-1-amine
CID 90908188
2-fluoro-5-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
CID 91047197
2-(Difluoromethyl)-5-methylidenepiperidine
CID 91063164
5-Methylidene-2-(trifluoromethyl)piperidine
CID 91239580
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451144

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine (CID 79965094) is 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine is C=C(C)C(CCC(F)(F)F)NCCC.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine?
The InChIKey is LPHLMNNMWYODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-4-7-14-9(8(2)3)5-6-10(11,12)13/h9,14H,2,4-7H2,1,3H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine?
6,6,6-trifluoro-2-methyl-N-propylhex-1-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 6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine is sourced from PubChem (CID 79965094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).