4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine

C12H22FNO — CID 106655075

IUPAC4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=CCCCC1
InChIInChI=1S/C12H22FNO/c1-15-10-12(13,8-5-9-14)11-6-3-2-4-7-11/h6H,2-5,7-10,14H2,1H3
InChIKeyCKILHGBJWRDZAD-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.58
Rot. Bonds6

About 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine

4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 106655075) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID106655075
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=CCCCC1
InChIInChI=1S/C12H22FNO/c1-15-10-12(13,8-5-9-14)11-6-3-2-4-7-11/h6H,2-5,7-10,14H2,1H3
InChIKeyCKILHGBJWRDZAD-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-4-(methoxymethyl)-6-methylhept-5-en-1-amine
CID 103392510
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392694
4-(Cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655076
4-(Cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655077
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
3-(4-Methoxybutyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 104650087
3-(4-Methoxybutan-2-yl)cyclohex-2-en-1-amine
CID 116499768
1-(Cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine
CID 116661379
3-(1-Methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine
CID 130595883

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine (CID 106655075) is 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is CKILHGBJWRDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-15-10-12(13,8-5-9-14)11-6-3-2-4-7-11/h6H,2-5,7-10,14H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 106655075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).