N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine

C15H26FN — CID 123410796

IUPACN-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine
SMILESCC/C=N/C1CC1(CF)CCCC=CCCC
InChIInChI=1S/C15H26FN/c1-3-5-6-7-8-9-10-15(13-16)12-14(15)17-11-4-2/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3/b7-6?,17-11+
InChIKeyNSRBSJZFVWZZNZ-IHIAHWSCSA-N
MW239.38 g/mol
LogP4.72
Rot. Bonds9

About N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine

N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine (PubChem CID 123410796) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine.

Molecular Properties

Compound NameN-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine
PubChem CID123410796
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC NameN-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine
SMILESCC/C=N/C1CC1(CF)CCCC=CCCC
InChIInChI=1S/C15H26FN/c1-3-5-6-7-8-9-10-15(13-16)12-14(15)17-11-4-2/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3/b7-6?,17-11+
InChIKeyNSRBSJZFVWZZNZ-IHIAHWSCSA-N
XLogP4.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
11-Methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 53803190
2-(3,3-Dimethylpentyl)-1-azacyclododeca-4,8,12-triene
CID 70585406
N-[3-[(E)-prop-1-enyl]heptan-2-yl]propan-1-imine
CID 118616226
2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete
CID 164962160
(Z)-N-[(2S)-2-ethyl-2-methylcyclopropyl]-2,3-dimethylhex-4-en-1-imine
CID 167080856

Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine?
The IUPAC name of N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine (CID 123410796) is N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine.
What is the SMILES notation for N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine?
The canonical SMILES for N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine is CC/C=N/C1CC1(CF)CCCC=CCCC.
What is the InChIKey of N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine?
The InChIKey is NSRBSJZFVWZZNZ-IHIAHWSCSA-N. The full InChI is InChI=1S/C15H26FN/c1-3-5-6-7-8-9-10-15(13-16)12-14(15)17-11-4-2/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3/b7-6?,17-11+.
What are the key properties of N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine?
N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine has a molecular weight of 239.38 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine is sourced from PubChem (CID 123410796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).