N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine

C7H11F3N2 — CID 154967746

IUPACN-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C(C(\C)=N\NC)/C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-4-6(7(8,9)10)5(2)12-11-3/h4,11H,1-3H3/b6-4+,12-5+
InChIKeyOEKMDHGLOUKLGA-ZCGKFZJYSA-N
MW180.17 g/mol
LogP2.09
Rot. Bonds2

About N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine

N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine (PubChem CID 154967746) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine
PubChem CID154967746
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine
SMILESC/C=C(C(\C)=N\NC)/C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-4-6(7(8,9)10)5(2)12-11-3/h4,11H,1-3H3/b6-4+,12-5+
InChIKeyOEKMDHGLOUKLGA-ZCGKFZJYSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine (CID 154967746) is N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine is C/C=C(C(\C)=N\NC)/C(F)(F)F.
What is the InChIKey of N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine?
The InChIKey is OEKMDHGLOUKLGA-ZCGKFZJYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-4-6(7(8,9)10)5(2)12-11-3/h4,11H,1-3H3/b6-4+,12-5+.
What are the key properties of N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine?
N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine has a molecular weight of 180.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 154967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).