(4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine

C15H30FN — CID 167207347

IUPAC(4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine
SMILESC=CNC(CC)[C@@H](CC)C(C)CC(F)C(C)C
InChIInChI=1S/C15H30FN/c1-7-13(15(8-2)17-9-3)12(6)10-14(16)11(4)5/h9,11-15,17H,3,7-8,10H2,1-2,4-6H3/t12?,13-,14?,15?/m0/s1
InChIKeyJSHQRENZVMJTGV-IBLUKRHDSA-N
MW243.41 g/mol
LogP4.54
Rot. Bonds9

About (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine

(4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine (PubChem CID 167207347) has the molecular formula C15H30FN and a molecular weight of 243.41 g/mol. Its IUPAC name is (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine.

Molecular Properties

Compound Name(4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine
PubChem CID167207347
Molecular FormulaC15H30FN
Molecular Weight243.41 g/mol
Exact Mass243.24
IUPAC Name(4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine
SMILESC=CNC(CC)[C@@H](CC)C(C)CC(F)C(C)C
InChIInChI=1S/C15H30FN/c1-7-13(15(8-2)17-9-3)12(6)10-14(16)11(4)5/h9,11-15,17H,3,7-8,10H2,1-2,4-6H3/t12?,13-,14?,15?/m0/s1
InChIKeyJSHQRENZVMJTGV-IBLUKRHDSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine?
The IUPAC name of (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine (CID 167207347) is (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine.
What is the SMILES notation for (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine?
The canonical SMILES for (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine is C=CNC(CC)[C@@H](CC)C(C)CC(F)C(C)C.
What is the InChIKey of (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine?
The InChIKey is JSHQRENZVMJTGV-IBLUKRHDSA-N. The full InChI is InChI=1S/C15H30FN/c1-7-13(15(8-2)17-9-3)12(6)10-14(16)11(4)5/h9,11-15,17H,3,7-8,10H2,1-2,4-6H3/t12?,13-,14?,15?/m0/s1.
What are the key properties of (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine?
(4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine has a molecular weight of 243.41 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethenyl-4-ethyl-7-fluoro-5,8-dimethylnonan-3-amine is sourced from PubChem (CID 167207347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).