(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine

C11H18F3N — CID 129302973

IUPAC(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
SMILESC=C(/C=C(\C)C(F)(F)F)CC(C)NCC
InChIInChI=1S/C11H18F3N/c1-5-15-10(4)7-8(2)6-9(3)11(12,13)14/h6,10,15H,2,5,7H2,1,3-4H3/b9-6+
InChIKeyNJPBSQXRNRZXAS-RMKNXTFCSA-N
MW221.27 g/mol
LogP3.44
Rot. Bonds5

About (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine

(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine (PubChem CID 129302973) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
PubChem CID129302973
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
SMILESC=C(/C=C(\C)C(F)(F)F)CC(C)NCC
InChIInChI=1S/C11H18F3N/c1-5-15-10(4)7-8(2)6-9(3)11(12,13)14/h6,10,15H,2,5,7H2,1,3-4H3/b9-6+
InChIKeyNJPBSQXRNRZXAS-RMKNXTFCSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
Isometheptene-mucate
CID 6604597
6-Methyl-2-propylamino-5-heptene
CID 12541942
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine?
The IUPAC name of (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine (CID 129302973) is (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine?
The canonical SMILES for (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine is C=C(/C=C(\C)C(F)(F)F)CC(C)NCC.
What is the InChIKey of (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine?
The InChIKey is NJPBSQXRNRZXAS-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H18F3N/c1-5-15-10(4)7-8(2)6-9(3)11(12,13)14/h6,10,15H,2,5,7H2,1,3-4H3/b9-6+.
What are the key properties of (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine?
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine is sourced from PubChem (CID 129302973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).