(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine

C11H22F3N3 — CID 138508157

IUPAC(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine
SMILESCCNCN(C)CCC(C)/C(=C\N)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-4-16-8-17(3)6-5-9(2)10(7-15)11(12,13)14/h7,9,16H,4-6,8,15H2,1-3H3/b10-7+
InChIKeyKFKUCBQZTFYPCW-JXMROGBWSA-N
MW253.31 g/mol
LogP1.92
Rot. Bonds7

About (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine

(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine (PubChem CID 138508157) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine
PubChem CID138508157
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine
SMILESCCNCN(C)CCC(C)/C(=C\N)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-4-16-8-17(3)6-5-9(2)10(7-15)11(12,13)14/h7,9,16H,4-6,8,15H2,1-3H3/b10-7+
InChIKeyKFKUCBQZTFYPCW-JXMROGBWSA-N
XLogP1.92
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine?
The IUPAC name of (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine (CID 138508157) is (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine.
What is the SMILES notation for (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine?
The canonical SMILES for (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine is CCNCN(C)CCC(C)/C(=C\N)C(F)(F)F.
What is the InChIKey of (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine?
The InChIKey is KFKUCBQZTFYPCW-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-4-16-8-17(3)6-5-9(2)10(7-15)11(12,13)14/h7,9,16H,4-6,8,15H2,1-3H3/b10-7+.
What are the key properties of (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine?
(E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine has a molecular weight of 253.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(ethylaminomethyl)-N',3-dimethyl-2-(trifluoromethyl)pent-1-ene-1,5-diamine is sourced from PubChem (CID 138508157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).