2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane

C21H40FN — CID 144515584

IUPAC2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane
SMILESC=C(C)CC(C)CC.CCC.CCCc1ccccc1F.CN
InChIInChI=1S/C9H11F.C8H16.C3H8.CH5N/c1-2-5-8-6-3-4-7-9(8)10;1-5-8(4)6-7(2)3;1-3-2;1-2/h3-4,6-7H,2,5H2,1H3;8H,2,5-6H2,1,3-4H3;3H2,1-2H3;2H2,1H3
InChIKeyLTAUDJRNJMFZCL-UHFFFAOYSA-N
MW325.56 g/mol
LogP6.77
Rot. Bonds5

About 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane

2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane (PubChem CID 144515584) has the molecular formula C21H40FN and a molecular weight of 325.56 g/mol. Its IUPAC name is 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane.

Molecular Properties

Compound Name2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane
PubChem CID144515584
Molecular FormulaC21H40FN
Molecular Weight325.56 g/mol
Exact Mass325.31
IUPAC Name2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane
SMILESC=C(C)CC(C)CC.CCC.CCCc1ccccc1F.CN
InChIInChI=1S/C9H11F.C8H16.C3H8.CH5N/c1-2-5-8-6-3-4-7-9(8)10;1-5-8(4)6-7(2)3;1-3-2;1-2/h3-4,6-7H,2,5H2,1H3;8H,2,5-6H2,1,3-4H3;3H2,1-2H3;2H2,1H3
InChIKeyLTAUDJRNJMFZCL-UHFFFAOYSA-N
XLogP6.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.56
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane?
The IUPAC name of 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane (CID 144515584) is 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane.
What is the SMILES notation for 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane?
The canonical SMILES for 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane is C=C(C)CC(C)CC.CCC.CCCc1ccccc1F.CN.
What is the InChIKey of 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane?
The InChIKey is LTAUDJRNJMFZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C8H16.C3H8.CH5N/c1-2-5-8-6-3-4-7-9(8)10;1-5-8(4)6-7(2)3;1-3-2;1-2/h3-4,6-7H,2,5H2,1H3;8H,2,5-6H2,1,3-4H3;3H2,1-2H3;2H2,1H3.
What are the key properties of 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane?
2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane has a molecular weight of 325.56 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane is sourced from PubChem (CID 144515584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).