(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine

C12H20F3N3 — CID 135160309

IUPAC(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C\C(NC)N1CCNC(C)C1)C(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-9(12(13,14)15)4-5-11(16-3)18-7-6-17-10(2)8-18/h4-5,10-11,16-17H,1,6-8H2,2-3H3/b5-4-
InChIKeyNSUWQJGPGXIWTD-PLNGDYQASA-N
MW263.31 g/mol
LogP1.50
Rot. Bonds4

About (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine

(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine (PubChem CID 135160309) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine
PubChem CID135160309
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C\C(NC)N1CCNC(C)C1)C(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-9(12(13,14)15)4-5-11(16-3)18-7-6-17-10(2)8-18/h4-5,10-11,16-17H,1,6-8H2,2-3H3/b5-4-
InChIKeyNSUWQJGPGXIWTD-PLNGDYQASA-N
XLogP1.50
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine (CID 135160309) is (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine is C=C(/C=C\C(NC)N1CCNC(C)C1)C(F)(F)F.
What is the InChIKey of (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The InChIKey is NSUWQJGPGXIWTD-PLNGDYQASA-N. The full InChI is InChI=1S/C12H20F3N3/c1-9(12(13,14)15)4-5-11(16-3)18-7-6-17-10(2)8-18/h4-5,10-11,16-17H,1,6-8H2,2-3H3/b5-4-.
What are the key properties of (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
(2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine has a molecular weight of 263.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-1-(3-methylpiperazin-1-yl)-4-(trifluoromethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 135160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).