(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine

C13H21F3N2 — CID 176704958

IUPAC(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
SMILESC/C=C(\N=C(/C=C/CCC)C(F)(F)F)NC(C)C
InChIInChI=1S/C13H21F3N2/c1-5-7-8-9-11(13(14,15)16)18-12(6-2)17-10(3)4/h6,8-10,17H,5,7H2,1-4H3/b9-8+,12-6-,18-11+
InChIKeyMJOJJHORZMCADJ-SIEUNCANSA-N
MW262.32 g/mol
LogP4.21
Rot. Bonds6

About (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine

(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine (PubChem CID 176704958) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
PubChem CID176704958
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
SMILESC/C=C(\N=C(/C=C/CCC)C(F)(F)F)NC(C)C
InChIInChI=1S/C13H21F3N2/c1-5-7-8-9-11(13(14,15)16)18-12(6-2)17-10(3)4/h6,8-10,17H,5,7H2,1-4H3/b9-8+,12-6-,18-11+
InChIKeyMJOJJHORZMCADJ-SIEUNCANSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-4-(trifluoromethyl)-1,2-dihydropyrimidine
CID 141861168
N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine
CID 123512418
(5Z)-N-[[(Z)-[(Z)-pent-3-en-2-ylidene]amino]methyl]hepta-1,5-dien-3-amine
CID 144334029

Frequently Asked Questions

What is the IUPAC name of (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
The IUPAC name of (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine (CID 176704958) is (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
The canonical SMILES for (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine is C/C=C(\N=C(/C=C/CCC)C(F)(F)F)NC(C)C.
What is the InChIKey of (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
The InChIKey is MJOJJHORZMCADJ-SIEUNCANSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-5-7-8-9-11(13(14,15)16)18-12(6-2)17-10(3)4/h6,8-10,17H,5,7H2,1-4H3/b9-8+,12-6-,18-11+.
What are the key properties of (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine?
(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine has a molecular weight of 262.32 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine is sourced from PubChem (CID 176704958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).