N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine

C11H16FN — CID 155019711

IUPACN-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine
SMILESC=NC1=C(/C=C(\C)F)CCC[C@@H]1C
InChIInChI=1S/C11H16FN/c1-8-5-4-6-10(7-9(2)12)11(8)13-3/h7-8H,3-6H2,1-2H3/b9-7+/t8-/m0/s1
InChIKeyNVRDWBROBIBWBF-INTFFVIUSA-N
MW181.25 g/mol
LogP3.63
Rot. Bonds2

About N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine

N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine (PubChem CID 155019711) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine.

Molecular Properties

Compound NameN-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine
PubChem CID155019711
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine
SMILESC=NC1=C(/C=C(\C)F)CCC[C@@H]1C
InChIInChI=1S/C11H16FN/c1-8-5-4-6-10(7-9(2)12)11(8)13-3/h7-8H,3-6H2,1-2H3/b9-7+/t8-/m0/s1
InChIKeyNVRDWBROBIBWBF-INTFFVIUSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine?
The IUPAC name of N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine (CID 155019711) is N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine.
What is the SMILES notation for N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine?
The canonical SMILES for N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine is C=NC1=C(/C=C(\C)F)CCC[C@@H]1C.
What is the InChIKey of N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine?
The InChIKey is NVRDWBROBIBWBF-INTFFVIUSA-N. The full InChI is InChI=1S/C11H16FN/c1-8-5-4-6-10(7-9(2)12)11(8)13-3/h7-8H,3-6H2,1-2H3/b9-7+/t8-/m0/s1.
What are the key properties of N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine?
N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine has a molecular weight of 181.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-[(E)-2-fluoroprop-1-enyl]-6-methylcyclohexen-1-yl]methanimine is sourced from PubChem (CID 155019711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).