(1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine

C11H18F3N — CID 166991002

IUPAC(1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC/C=C(/C=C\N(C)CC)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-6-7-10(11(12,13)14)8-9-15(3)5-2/h7-9H,4-6H2,1-3H3/b9-8-,10-7-
InChIKeyCNGNFYBUDAKHPS-NFIXMJHSSA-N
MW221.27 g/mol
LogP3.74
Rot. Bonds5

About (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine

(1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine (PubChem CID 166991002) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
PubChem CID166991002
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine
SMILESCCC/C=C(/C=C\N(C)CC)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-4-6-7-10(11(12,13)14)8-9-15(3)5-2/h7-9H,4-6H2,1-3H3/b9-8-,10-7-
InChIKeyCNGNFYBUDAKHPS-NFIXMJHSSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine (CID 166991002) is (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine is CCC/C=C(/C=C\N(C)CC)C(F)(F)F.
What is the InChIKey of (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
The InChIKey is CNGNFYBUDAKHPS-NFIXMJHSSA-N. The full InChI is InChI=1S/C11H18F3N/c1-4-6-7-10(11(12,13)14)8-9-15(3)5-2/h7-9H,4-6H2,1-3H3/b9-8-,10-7-.
What are the key properties of (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine?
(1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-ethyl-N-methyl-3-(trifluoromethyl)hepta-1,3-dien-1-amine is sourced from PubChem (CID 166991002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).