7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine

C15H28FN — CID 123937422

IUPAC7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine
SMILESC=C(C)C(=CCNC)C(C)C(C)CC(C)(C)F
InChIInChI=1S/C15H28FN/c1-11(2)14(8-9-17-7)13(4)12(3)10-15(5,6)16/h8,12-13,17H,1,9-10H2,2-7H3
InChIKeyXONHWRAMIFNHDT-UHFFFAOYSA-N
MW241.39 g/mol
LogP4.12
Rot. Bonds7

About 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine

7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine (PubChem CID 123937422) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine.

Molecular Properties

Compound Name7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine
PubChem CID123937422
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine
SMILESC=C(C)C(=CCNC)C(C)C(C)CC(C)(C)F
InChIInChI=1S/C15H28FN/c1-11(2)14(8-9-17-7)13(4)12(3)10-15(5,6)16/h8,12-13,17H,1,9-10H2,2-7H3
InChIKeyXONHWRAMIFNHDT-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine?
The IUPAC name of 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine (CID 123937422) is 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine.
What is the SMILES notation for 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine?
The canonical SMILES for 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine is C=C(C)C(=CCNC)C(C)C(C)CC(C)(C)F.
What is the InChIKey of 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine?
The InChIKey is XONHWRAMIFNHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN/c1-11(2)14(8-9-17-7)13(4)12(3)10-15(5,6)16/h8,12-13,17H,1,9-10H2,2-7H3.
What are the key properties of 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine?
7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine has a molecular weight of 241.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,4,5,7-tetramethyl-3-prop-1-en-2-yloct-2-en-1-amine is sourced from PubChem (CID 123937422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).