(E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine

C12H19F3N2 — CID 170592924

IUPAC(E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine
SMILESC=N/C=C(\C(=C)CCNC(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-9(6-7-17-11(2,3)4)10(8-16-5)12(13,14)15/h8,17H,1,5-7H2,2-4H3/b10-8+
InChIKeyCEBQGLKHMYCRHN-CSKARUKUSA-N
MW248.29 g/mol
LogP3.47
Rot. Bonds5

About (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine

(E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine (PubChem CID 170592924) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine
PubChem CID170592924
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name(E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine
SMILESC=N/C=C(\C(=C)CCNC(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3N2/c1-9(6-7-17-11(2,3)4)10(8-16-5)12(13,14)15/h8,17H,1,5-7H2,2-4H3/b10-8+
InChIKeyCEBQGLKHMYCRHN-CSKARUKUSA-N
XLogP3.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(tert-butylamino)pent-1-en-3-one
CID 116557902
N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
CID 79607121
N-tert-butyl-5,5-dimethyl-4-methylidenehexan-1-amine
CID 164971223
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
N-tert-butyl-5-methylhexa-3,5-dien-1-amine
CID 79597878
N'-[(Z)-3,3,3-trifluoro-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
CID 167221961
N-(2-(18F)fluoroethyl)-2-methylpropan-2-amine
CID 166005414
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
4-(tert-butylamino)butanoyl iodide
CID 126602770
3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 162552052
N-tert-butyl-2-methylidenebut-3-en-1-amine
CID 123407105
1-(tert-butylamino)-5-methylhexan-3-one
CID 116557850

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine (CID 170592924) is (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine is C=N/C=C(\C(=C)CCNC(C)(C)C)C(F)(F)F.
What is the InChIKey of (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine?
The InChIKey is CEBQGLKHMYCRHN-CSKARUKUSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-9(6-7-17-11(2,3)4)10(8-16-5)12(13,14)15/h8,17H,1,5-7H2,2-4H3/b10-8+.
What are the key properties of (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine?
(E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine has a molecular weight of 248.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-3-methylidene-5-(methylideneamino)-4-(trifluoromethyl)pent-4-en-1-amine is sourced from PubChem (CID 170592924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).