N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine

C15H22FN — CID 130181366

IUPACN-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine
SMILESC=NC1(CC)C(=C)C1(CC)/C(C)=C/C=C(\C)F
InChIInChI=1S/C15H22FN/c1-7-14(11(3)9-10-12(4)16)13(5)15(14,8-2)17-6/h9-10H,5-8H2,1-4H3/b11-9+,12-10+
InChIKeyRENBMYALYQEIRD-WGDLNXRISA-N
MW235.35 g/mol
LogP4.62
Rot. Bonds5

About N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine

N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine (PubChem CID 130181366) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine.

Molecular Properties

Compound NameN-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine
PubChem CID130181366
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine
SMILESC=NC1(CC)C(=C)C1(CC)/C(C)=C/C=C(\C)F
InChIInChI=1S/C15H22FN/c1-7-14(11(3)9-10-12(4)16)13(5)15(14,8-2)17-6/h9-10H,5-8H2,1-4H3/b11-9+,12-10+
InChIKeyRENBMYALYQEIRD-WGDLNXRISA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine?
The IUPAC name of N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine (CID 130181366) is N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine.
What is the SMILES notation for N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine?
The canonical SMILES for N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine is C=NC1(CC)C(=C)C1(CC)/C(C)=C/C=C(\C)F.
What is the InChIKey of N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine?
The InChIKey is RENBMYALYQEIRD-WGDLNXRISA-N. The full InChI is InChI=1S/C15H22FN/c1-7-14(11(3)9-10-12(4)16)13(5)15(14,8-2)17-6/h9-10H,5-8H2,1-4H3/b11-9+,12-10+.
What are the key properties of N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine?
N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine has a molecular weight of 235.35 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-diethyl-2-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-3-methylidenecyclopropyl]methanimine is sourced from PubChem (CID 130181366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).