N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine

C13H26FN — CID 129239050

IUPACN-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine
SMILESC=CNCC(CC)C(CC)CCCCF
InChIInChI=1S/C13H26FN/c1-4-12(9-7-8-10-14)13(5-2)11-15-6-3/h6,12-13,15H,3-5,7-11H2,1-2H3
InChIKeyWPQIGHFAYGJYBK-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.91
Rot. Bonds10

About N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine

N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine (PubChem CID 129239050) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine.

Molecular Properties

Compound NameN-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine
PubChem CID129239050
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC NameN-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine
SMILESC=CNCC(CC)C(CC)CCCCF
InChIInChI=1S/C13H26FN/c1-4-12(9-7-8-10-14)13(5-2)11-15-6-3/h6,12-13,15H,3-5,7-11H2,1-2H3
InChIKeyWPQIGHFAYGJYBK-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
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-2,3-diethyl-7-fluoroheptan-1-amine?
The IUPAC name of N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine (CID 129239050) is N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine.
What is the SMILES notation for N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine?
The canonical SMILES for N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine is C=CNCC(CC)C(CC)CCCCF.
What is the InChIKey of N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine?
The InChIKey is WPQIGHFAYGJYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-4-12(9-7-8-10-14)13(5-2)11-15-6-3/h6,12-13,15H,3-5,7-11H2,1-2H3.
What are the key properties of N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine?
N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,3-diethyl-7-fluoroheptan-1-amine is sourced from PubChem (CID 129239050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).