(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine

C14H26F6N4 — CID 56839108

IUPAC(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine
SMILESFC(F)(F)CNCCCNC/C=C\CNCCCNCC(F)(F)F
InChIInChI=1S/C14H26F6N4/c15-13(16,17)11-23-9-3-7-21-5-1-2-6-22-8-4-10-24-12-14(18,19)20/h1-2,21-24H,3-12H2/b2-1-
InChIKeyRPQCSDUXODSIPD-UPHRSURJSA-N
MW364.38 g/mol
LogP1.81
Rot. Bonds14

About (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine

(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine (PubChem CID 56839108) has the molecular formula C14H26F6N4 and a molecular weight of 364.38 g/mol. Its IUPAC name is (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine
PubChem CID56839108
Molecular FormulaC14H26F6N4
Molecular Weight364.38 g/mol
Exact Mass364.21
IUPAC Name(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine
SMILESFC(F)(F)CNCCCNC/C=C\CNCCCNCC(F)(F)F
InChIInChI=1S/C14H26F6N4/c15-13(16,17)11-23-9-3-7-21-5-1-2-6-22-8-4-10-24-12-14(18,19)20/h1-2,21-24H,3-12H2/b2-1-
InChIKeyRPQCSDUXODSIPD-UPHRSURJSA-N
XLogP1.81
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 106844209
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
3-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62505693
3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 65296229
3-cyclohexyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 60998000
(E)-N,N'-bis[3-(cyclopropylmethylamino)propyl]but-2-ene-1,4-diamine
CID 19956427
N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
CID 19956382
N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52944190

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine?
The IUPAC name of (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine (CID 56839108) is (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine?
The canonical SMILES for (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine is FC(F)(F)CNCCCNC/C=C\CNCCCNCC(F)(F)F.
What is the InChIKey of (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine?
The InChIKey is RPQCSDUXODSIPD-UPHRSURJSA-N. The full InChI is InChI=1S/C14H26F6N4/c15-13(16,17)11-23-9-3-7-21-5-1-2-6-22-8-4-10-24-12-14(18,19)20/h1-2,21-24H,3-12H2/b2-1-.
What are the key properties of (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine?
(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine has a molecular weight of 364.38 g/mol, XLogP of 1.81, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 56839108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).