N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine

C14H23F3N2 — CID 138655232

IUPACN-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine
SMILESC=C(/C(C)=C(\NC1CCN(C)C1)C(C)C)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-9(2)13(10(3)11(4)14(15,16)17)18-12-6-7-19(5)8-12/h9,12,18H,4,6-8H2,1-3,5H3/b13-10-
InChIKeyKPPBOTYSCJEENH-RAXLEYEMSA-N
MW276.35 g/mol
LogP3.33
Rot. Bonds4

About N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine

N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine (PubChem CID 138655232) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine
PubChem CID138655232
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine
SMILESC=C(/C(C)=C(\NC1CCN(C)C1)C(C)C)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-9(2)13(10(3)11(4)14(15,16)17)18-12-6-7-19(5)8-12/h9,12,18H,4,6-8H2,1-3,5H3/b13-10-
InChIKeyKPPBOTYSCJEENH-RAXLEYEMSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4Z,6Z)-1-(3,3-difluoropyrrolidin-1-yl)-N-methyl-3-methylideneocta-4,6-dien-2-amine
CID 132122123
4-methyl-N-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 145542670
(2E,3E)-2-ethylidene-3-(1-fluoroethylidene)-1-pyrrolidin-3-ylpyrrole
CID 168939747
N-(2,4-dimethylpent-2-en-3-yl)-1-methylpyrrolidin-3-amine
CID 138655215
1-[(Z)-3-methylpent-2-en-2-yl]-N-propan-2-ylpyrrolidin-3-amine
CID 174087851

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine (CID 138655232) is N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine is C=C(/C(C)=C(\NC1CCN(C)C1)C(C)C)C(F)(F)F.
What is the InChIKey of N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine?
The InChIKey is KPPBOTYSCJEENH-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-9(2)13(10(3)11(4)14(15,16)17)18-12-6-7-19(5)8-12/h9,12,18H,4,6-8H2,1-3,5H3/b13-10-.
What are the key properties of N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine?
N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine has a molecular weight of 276.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,4-dimethyl-5-(trifluoromethyl)hexa-3,5-dien-3-yl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 138655232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).