(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine

C9H14F3N3 — CID 144980134

IUPAC(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
SMILESC=N/C(=C\C(=C)CN)NCCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-7(6-13)5-8(14-2)15-4-3-9(10,11)12/h5,15H,1-4,6,13H2/b8-5+
InChIKeyYLUAELKWGFBYEC-VMPITWQZSA-N
MW221.23 g/mol
LogP1.59
Rot. Bonds6

About (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine

(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine (PubChem CID 144980134) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
PubChem CID144980134
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
SMILESC=N/C(=C\C(=C)CN)NCCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-7(6-13)5-8(14-2)15-4-3-9(10,11)12/h5,15H,1-4,6,13H2/b8-5+
InChIKeyYLUAELKWGFBYEC-VMPITWQZSA-N
XLogP1.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
CID 145422882
(1Z,3Z)-3-methyl-1-(methylideneamino)-N-(2,2,2-trifluoroethyl)penta-1,3-dien-1-amine
CID 142501227
(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine
CID 143436998

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine?
The IUPAC name of (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine (CID 144980134) is (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine.
What is the SMILES notation for (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine?
The canonical SMILES for (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine is C=N/C(=C\C(=C)CN)NCCC(F)(F)F.
What is the InChIKey of (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine?
The InChIKey is YLUAELKWGFBYEC-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-7(6-13)5-8(14-2)15-4-3-9(10,11)12/h5,15H,1-4,6,13H2/b8-5+.
What are the key properties of (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine?
(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine has a molecular weight of 221.23 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine is sourced from PubChem (CID 144980134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).