2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine

C9H15FN2 — CID 123615088

IUPAC2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine
SMILESCNCC/N=C1/C=CC(F)CC1
InChIInChI=1S/C9H15FN2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2,4,8,11H,3,5-7H2,1H3/b12-9-
InChIKeyROOJUTCEPZAROS-XFXZXTDPSA-N
MW170.23 g/mol
LogP1.33
Rot. Bonds3

About 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine

2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine (PubChem CID 123615088) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine.

Molecular Properties

Compound Name2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine
PubChem CID123615088
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine
SMILESCNCC/N=C1/C=CC(F)CC1
InChIInChI=1S/C9H15FN2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2,4,8,11H,3,5-7H2,1H3/b12-9-
InChIKeyROOJUTCEPZAROS-XFXZXTDPSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluorocyclohex-2-en-1-ylidene)amino]ethanamine
CID 123344748
N-methyl-2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123142247
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
2-(Cyclohex-2-en-1-ylideneamino)ethanamine
CID 123456351

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine?
The IUPAC name of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine (CID 123615088) is 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine.
What is the SMILES notation for 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine?
The canonical SMILES for 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine is CNCC/N=C1/C=CC(F)CC1.
What is the InChIKey of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine?
The InChIKey is ROOJUTCEPZAROS-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H15FN2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2,4,8,11H,3,5-7H2,1H3/b12-9-.
What are the key properties of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine?
2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine has a molecular weight of 170.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine is sourced from PubChem (CID 123615088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).