(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine

C9H13F3N2 — CID 142501227

IUPAC(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C(C)=C/C)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-4-7(2)5-8(13-3)14-6-9(10,11)12/h4-5,14H,3,6H2,1-2H3/b7-4-,8-5+
InChIKeyFPSPPKQVTWNGKZ-DKBJKEKUSA-N
MW206.21 g/mol
LogP2.65
Rot. Bonds4

About (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine

(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine (PubChem CID 142501227) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
PubChem CID142501227
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C(C)=C/C)NCC(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-4-7(2)5-8(13-3)14-6-9(10,11)12/h4-5,14H,3,6H2,1-2H3/b7-4-,8-5+
InChIKeyFPSPPKQVTWNGKZ-DKBJKEKUSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
CID 142501226
(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
CID 144980134
(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
CID 145422882
(3E)-5,5,5-trifluoro-1-N,1-N',3-trimethylpenta-1,3-diene-1,1-diamine
CID 167162117
(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
CID 142990915

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine (CID 142501227) is (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine is C=N/C(=C\C(C)=C/C)NCC(F)(F)F.
What is the InChIKey of (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
The InChIKey is FPSPPKQVTWNGKZ-DKBJKEKUSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-4-7(2)5-8(13-3)14-6-9(10,11)12/h4-5,14H,3,6H2,1-2H3/b7-4-,8-5+.
What are the key properties of (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine?
(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine has a molecular weight of 206.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 142501227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).