N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine

C14H21F3N2 — CID 155471401

IUPACN-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine
SMILESC=C/C(=N\C(CC)=C(/C)NC1CCCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-12(19-13(5-2)14(15,16)17)10(3)18-11-8-6-7-9-11/h5,11,18H,2,4,6-9H2,1,3H3/b12-10+,19-13+
InChIKeyPXTZYCNGJZJNMA-DHJSAQKKSA-N
MW274.33 g/mol
LogP4.35
Rot. Bonds5

About N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine

N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine (PubChem CID 155471401) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine.

Molecular Properties

Compound NameN-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine
PubChem CID155471401
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine
SMILESC=C/C(=N\C(CC)=C(/C)NC1CCCC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-12(19-13(5-2)14(15,16)17)10(3)18-11-8-6-7-9-11/h5,11,18H,2,4,6-9H2,1,3H3/b12-10+,19-13+
InChIKeyPXTZYCNGJZJNMA-DHJSAQKKSA-N
XLogP4.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine?
The IUPAC name of N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine (CID 155471401) is N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine.
What is the SMILES notation for N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine?
The canonical SMILES for N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine is C=C/C(=N\C(CC)=C(/C)NC1CCCC1)C(F)(F)F.
What is the InChIKey of N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine?
The InChIKey is PXTZYCNGJZJNMA-DHJSAQKKSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-12(19-13(5-2)14(15,16)17)10(3)18-11-8-6-7-9-11/h5,11,18H,2,4,6-9H2,1,3H3/b12-10+,19-13+.
What are the key properties of N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine?
N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine has a molecular weight of 274.33 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine is sourced from PubChem (CID 155471401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).