2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine

C15H30FN — CID 177054136

IUPAC2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine
SMILESC=CNCC(CCC(F)CC)CC(C)C(C)C
InChIInChI=1S/C15H30FN/c1-6-15(16)9-8-14(11-17-7-2)10-13(5)12(3)4/h7,12-15,17H,2,6,8-11H2,1,3-5H3
InChIKeyOEUSIAGCGGKGLB-UHFFFAOYSA-N
MW243.41 g/mol
LogP4.55
Rot. Bonds10

About 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine

2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine (PubChem CID 177054136) has the molecular formula C15H30FN and a molecular weight of 243.41 g/mol. Its IUPAC name is 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine
PubChem CID177054136
Molecular FormulaC15H30FN
Molecular Weight243.41 g/mol
Exact Mass243.24
IUPAC Name2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine
SMILESC=CNCC(CCC(F)CC)CC(C)C(C)C
InChIInChI=1S/C15H30FN/c1-6-15(16)9-8-14(11-17-7-2)10-13(5)12(3)4/h7,12-15,17H,2,6,8-11H2,1,3-5H3
InChIKeyOEUSIAGCGGKGLB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine?
The IUPAC name of 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine (CID 177054136) is 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine?
The canonical SMILES for 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine is C=CNCC(CCC(F)CC)CC(C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine?
The InChIKey is OEUSIAGCGGKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN/c1-6-15(16)9-8-14(11-17-7-2)10-13(5)12(3)4/h7,12-15,17H,2,6,8-11H2,1,3-5H3.
What are the key properties of 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine?
2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine has a molecular weight of 243.41 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutyl)-N-ethenyl-5-fluoroheptan-1-amine is sourced from PubChem (CID 177054136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).