(E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine

C10H19F3N2 — CID 134292293

IUPAC(E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine
SMILESCCC(C)N(C)C(/C=C/NC)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-5-8(2)15(4)9(6-7-14-3)10(11,12)13/h6-9,14H,5H2,1-4H3/b7-6+
InChIKeyNQPMETBUBGPXLM-VOTSOKGWSA-N
MW224.27 g/mol
LogP2.38
Rot. Bonds5

About (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine

(E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine (PubChem CID 134292293) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine
PubChem CID134292293
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name(E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine
SMILESCCC(C)N(C)C(/C=C/NC)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-5-8(2)15(4)9(6-7-14-3)10(11,12)13/h6-9,14H,5H2,1-4H3/b7-6+
InChIKeyNQPMETBUBGPXLM-VOTSOKGWSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine (CID 134292293) is (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine is CCC(C)N(C)C(/C=C/NC)C(F)(F)F.
What is the InChIKey of (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
The InChIKey is NQPMETBUBGPXLM-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-5-8(2)15(4)9(6-7-14-3)10(11,12)13/h6-9,14H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
(E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-butan-2-yl-4,4,4-trifluoro-1-N,3-N-dimethylbut-1-ene-1,3-diamine is sourced from PubChem (CID 134292293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).