4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine

C13H22FN — CID 89108112

IUPAC4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
SMILESC=C(NC1CCC(CC)CC1)[C@H]1CC1F
InChIInChI=1S/C13H22FN/c1-3-10-4-6-11(7-5-10)15-9(2)12-8-13(12)14/h10-13,15H,2-8H2,1H3/t10?,11?,12-,13?/m1/s1
InChIKeyJGCRBBFJJXCINY-AYNROABZSA-N
MW211.32 g/mol
LogP3.42
Rot. Bonds4

About 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine (PubChem CID 89108112) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
PubChem CID89108112
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
SMILESC=C(NC1CCC(CC)CC1)[C@H]1CC1F
InChIInChI=1S/C13H22FN/c1-3-10-4-6-11(7-5-10)15-9(2)12-8-13(12)14/h10-13,15H,2-8H2,1H3/t10?,11?,12-,13?/m1/s1
InChIKeyJGCRBBFJJXCINY-AYNROABZSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine 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

N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
N-cyclopropyl-6-fluoro-4-[(Z)-prop-1-enyl]-3-propylcyclohexen-1-amine
CID 166728327
N-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
N-(1-cyclopropylpropan-2-yl)-3-fluoro-4-methylpent-1-en-2-amine
CID 174325971
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
CID 174336602
4-prop-1-en-2-yl-N-(1,1,1-trifluoropropan-2-yl)cyclohexan-1-amine
CID 178702284
N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
CID 142110250
1-cyclohexyl-N-[3-(2,2-difluorocyclopropyl)prop-1-en-2-yl]-2-methylprop-2-en-1-amine
CID 143350928
3,3-difluoro-N-[3-(3-methyl-5-methylidenecyclohexyl)propyl]but-1-en-2-amine
CID 144692188
N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
CID 163294986
(2R)-N-[1-[(1R,5S)-3,3-difluoro-6-bicyclo[3.1.0]hexanyl]ethenyl]-3-methylbutan-2-amine
CID 164973244

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine (CID 89108112) is 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine is C=C(NC1CCC(CC)CC1)[C@H]1CC1F.
What is the InChIKey of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
The InChIKey is JGCRBBFJJXCINY-AYNROABZSA-N. The full InChI is InChI=1S/C13H22FN/c1-3-10-4-6-11(7-5-10)15-9(2)12-8-13(12)14/h10-13,15H,2-8H2,1H3/t10?,11?,12-,13?/m1/s1.
What are the key properties of 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine?
4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine has a molecular weight of 211.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 89108112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).