N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine

C15H26FN — CID 134507459

IUPACN-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine
SMILESC=CN(CCCCCC(=C)F)C(=C)C(C)CC
InChIInChI=1S/C15H26FN/c1-6-13(3)15(5)17(7-2)12-10-8-9-11-14(4)16/h7,13H,2,4-6,8-12H2,1,3H3
InChIKeyJNXSNLWUEQZTGO-UHFFFAOYSA-N
MW239.38 g/mol
LogP5.04
Rot. Bonds10

About N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine

N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine (PubChem CID 134507459) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine
PubChem CID134507459
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC NameN-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine
SMILESC=CN(CCCCCC(=C)F)C(=C)C(C)CC
InChIInChI=1S/C15H26FN/c1-6-13(3)15(5)17(7-2)12-10-8-9-11-14(4)16/h7,13H,2,4-6,8-12H2,1,3H3
InChIKeyJNXSNLWUEQZTGO-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine?
The IUPAC name of N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine (CID 134507459) is N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine.
What is the SMILES notation for N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine?
The canonical SMILES for N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine is C=CN(CCCCCC(=C)F)C(=C)C(C)CC.
What is the InChIKey of N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine?
The InChIKey is JNXSNLWUEQZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-6-13(3)15(5)17(7-2)12-10-8-9-11-14(4)16/h7,13H,2,4-6,8-12H2,1,3H3.
What are the key properties of N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine?
N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine has a molecular weight of 239.38 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6-fluoro-N-(3-methylpent-1-en-2-yl)hept-6-en-1-amine is sourced from PubChem (CID 134507459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).