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

C8H13FN2 — CID 123344748

IUPAC2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine
SMILESNCC/N=C1/C=CC(F)CC1
InChIInChI=1S/C8H13FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1,3,7H,2,4-6,10H2/b11-8-
InChIKeyLSVBRSLRDRLIPC-FLIBITNWSA-N
MW156.20 g/mol
LogP1.07
Rot. Bonds2

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

2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine (PubChem CID 123344748) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine.

Molecular Properties

Compound Name2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine
PubChem CID123344748
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine
SMILESNCC/N=C1/C=CC(F)CC1
InChIInChI=1S/C8H13FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1,3,7H,2,4-6,10H2/b11-8-
InChIKeyLSVBRSLRDRLIPC-FLIBITNWSA-N
XLogP1.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluorocyclohex-2-en-1-ylidene)amino]-N-methylethanamine
CID 123615088
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
2-(Cyclohex-2-en-1-ylideneamino)ethanamine
CID 123456351
2-N-ethylcyclohex-3-ene-1,2-diimine
CID 123566482
1-(2,3-Dihydropyridin-6-yl)propan-2-amine
CID 123723453
N-[2-(cyclohex-2-en-1-ylideneamino)ethyl]thiohydroxylamine
CID 123958575
2-N-propylcyclohex-3-ene-1,2-diimine
CID 143739126

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine?
The IUPAC name of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine (CID 123344748) is 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine.
What is the SMILES notation for 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine?
The canonical SMILES for 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine is NCC/N=C1/C=CC(F)CC1.
What is the InChIKey of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine?
The InChIKey is LSVBRSLRDRLIPC-FLIBITNWSA-N. The full InChI is InChI=1S/C8H13FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1,3,7H,2,4-6,10H2/b11-8-.
What are the key properties of 2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine?
2-[(4-fluorocyclohex-2-en-1-ylidene)amino]ethanamine has a molecular weight of 156.20 g/mol, XLogP of 1.07, 2 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]ethanamine is sourced from PubChem (CID 123344748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).