(1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine

C13H23F3N4 — CID 145197970

IUPAC(1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine
SMILESCC(C)(C)/C(N)=C/C=C(\N)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N4/c1-12(2,3)9(17)4-5-11(18)20-7-6-19-10(8-20)13(14,15)16/h4-5,10,19H,6-8,17-18H2,1-3H3/b9-4-,11-5+
InChIKeyOCRUBSBETBVAMA-WNEGIOFOSA-N
MW292.35 g/mol
LogP1.51
Rot. Bonds2

About (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine

(1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine (PubChem CID 145197970) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine
PubChem CID145197970
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name(1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine
SMILESCC(C)(C)/C(N)=C/C=C(\N)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N4/c1-12(2,3)9(17)4-5-11(18)20-7-6-19-10(8-20)13(14,15)16/h4-5,10,19H,6-8,17-18H2,1-3H3/b9-4-,11-5+
InChIKeyOCRUBSBETBVAMA-WNEGIOFOSA-N
XLogP1.51
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine (CID 145197970) is (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine is CC(C)(C)/C(N)=C/C=C(\N)N1CCNC(C(F)(F)F)C1.
What is the InChIKey of (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine?
The InChIKey is OCRUBSBETBVAMA-WNEGIOFOSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-12(2,3)9(17)4-5-11(18)20-7-6-19-10(8-20)13(14,15)16/h4-5,10,19H,6-8,17-18H2,1-3H3/b9-4-,11-5+.
What are the key properties of (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine?
(1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5,5-dimethyl-1-[3-(trifluoromethyl)piperazin-1-yl]hexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 145197970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).