1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine

C17H32FN — CID 139394930

IUPAC1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)C1CC(C=CC(C)F)CC1C
InChIInChI=1S/C17H32FN/c1-12(2)6-9-17(19-5)16-11-15(10-13(16)3)8-7-14(4)18/h7-8,12-17,19H,6,9-11H2,1-5H3
InChIKeyOOBTWKVGKNKACP-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.59
Rot. Bonds7

About 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine

1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine (PubChem CID 139394930) has the molecular formula C17H32FN and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
PubChem CID139394930
Molecular FormulaC17H32FN
Molecular Weight269.45 g/mol
Exact Mass269.25
IUPAC Name1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)C1CC(C=CC(C)F)CC1C
InChIInChI=1S/C17H32FN/c1-12(2)6-9-17(19-5)16-11-15(10-13(16)3)8-7-14(4)18/h7-8,12-17,19H,6,9-11H2,1-5H3
InChIKeyOOBTWKVGKNKACP-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine (CID 139394930) is 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)C1CC(C=CC(C)F)CC1C.
What is the InChIKey of 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine?
The InChIKey is OOBTWKVGKNKACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN/c1-12(2)6-9-17(19-5)16-11-15(10-13(16)3)8-7-14(4)18/h7-8,12-17,19H,6,9-11H2,1-5H3.
What are the key properties of 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine?
1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine has a molecular weight of 269.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 139394930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).