(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine

C7H11F3N2 — CID 138509521

IUPAC(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
SMILES[H]/N=C/C=C(/CC)N(C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-6(4-5-11)12(2)7(8,9)10/h4-5,11H,3H2,1-2H3/b6-4-,11-5+
InChIKeyDCYWDEDDIFPGRG-NQTKGXIKSA-N
MW180.17 g/mol
LogP2.38
Rot. Bonds3

About (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine

(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine (PubChem CID 138509521) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
PubChem CID138509521
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
SMILES[H]/N=C/C=C(/CC)N(C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-3-6(4-5-11)12(2)7(8,9)10/h4-5,11H,3H2,1-2H3/b6-4-,11-5+
InChIKeyDCYWDEDDIFPGRG-NQTKGXIKSA-N
XLogP2.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine (CID 138509521) is (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine is [H]/N=C/C=C(/CC)N(C)C(F)(F)F.
What is the InChIKey of (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is DCYWDEDDIFPGRG-NQTKGXIKSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-3-6(4-5-11)12(2)7(8,9)10/h4-5,11H,3H2,1-2H3/b6-4-,11-5+.
What are the key properties of (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine?
(Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 180.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-imino-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 138509521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).