(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine

C10H19F3N2 — CID 134292209

IUPAC(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine
SMILESCCCC(/C(=C\N(C)C)NC)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-5-6-8(10(11,12)13)9(14-2)7-15(3)4/h7-8,14H,5-6H2,1-4H3/b9-7+
InChIKeyDTCREEHNFAXLAW-VQHVLOKHSA-N
MW224.27 g/mol
LogP2.59
Rot. Bonds5

About (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine

(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine (PubChem CID 134292209) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine
PubChem CID134292209
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine
SMILESCCCC(/C(=C\N(C)C)NC)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-5-6-8(10(11,12)13)9(14-2)7-15(3)4/h7-8,14H,5-6H2,1-4H3/b9-7+
InChIKeyDTCREEHNFAXLAW-VQHVLOKHSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine (CID 134292209) is (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine is CCCC(/C(=C\N(C)C)NC)C(F)(F)F.
What is the InChIKey of (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine?
The InChIKey is DTCREEHNFAXLAW-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-5-6-8(10(11,12)13)9(14-2)7-15(3)4/h7-8,14H,5-6H2,1-4H3/b9-7+.
What are the key properties of (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine?
(E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,2-N-trimethyl-3-(trifluoromethyl)hex-1-ene-1,2-diamine is sourced from PubChem (CID 134292209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).