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

C13H24FNO — CID 106655077

IUPAC4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=CCCCCC1
InChIInChI=1S/C13H24FNO/c1-16-11-13(14,9-6-10-15)12-7-4-2-3-5-8-12/h7H,2-6,8-11,15H2,1H3
InChIKeyCKYNDUCJZXYHMD-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.97
Rot. Bonds6

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

4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 106655077) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID106655077
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1=CCCCCC1
InChIInChI=1S/C13H24FNO/c1-16-11-13(14,9-6-10-15)12-7-4-2-3-5-8-12/h7H,2-6,8-11,15H2,1H3
InChIKeyCKYNDUCJZXYHMD-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.97
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-(Cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655075
4-(Cycloocten-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655076
3-(1-Methoxypropan-2-yl)cyclohept-2-en-1-amine
CID 107383109
3-(4-Methoxybutan-2-yl)cyclohept-2-en-1-amine
CID 107383296

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine (CID 106655077) is 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1=CCCCCC1.
What is the InChIKey of 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is CKYNDUCJZXYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-16-11-13(14,9-6-10-15)12-7-4-2-3-5-8-12/h7H,2-6,8-11,15H2,1H3.
What are the key properties of 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine?
4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepten-1-yl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 106655077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).