7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine

C20H40FN — CID 138740119

IUPAC7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine
SMILESC=CC(C(C)CC)C(CC(CC(C)C)C(N)CC)C(C)(C)F
InChIInChI=1S/C20H40FN/c1-9-15(6)17(10-2)18(20(7,8)21)13-16(12-14(4)5)19(22)11-3/h10,14-19H,2,9,11-13,22H2,1,3-8H3
InChIKeyQNKWSVKDFHCGPT-UHFFFAOYSA-N
MW313.55 g/mol
LogP5.99
Rot. Bonds11

About 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine

7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine (PubChem CID 138740119) has the molecular formula C20H40FN and a molecular weight of 313.55 g/mol. Its IUPAC name is 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine.

Molecular Properties

Compound Name7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine
PubChem CID138740119
Molecular FormulaC20H40FN
Molecular Weight313.55 g/mol
Exact Mass313.31
IUPAC Name7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine
SMILESC=CC(C(C)CC)C(CC(CC(C)C)C(N)CC)C(C)(C)F
InChIInChI=1S/C20H40FN/c1-9-15(6)17(10-2)18(20(7,8)21)13-16(12-14(4)5)19(22)11-3/h10,14-19H,2,9,11-13,22H2,1,3-8H3
InChIKeyQNKWSVKDFHCGPT-UHFFFAOYSA-N
XLogP5.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.55
LogP ≤ 55.99
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 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine?
The IUPAC name of 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine (CID 138740119) is 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine.
What is the SMILES notation for 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine?
The canonical SMILES for 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine is C=CC(C(C)CC)C(CC(CC(C)C)C(N)CC)C(C)(C)F.
What is the InChIKey of 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine?
The InChIKey is QNKWSVKDFHCGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40FN/c1-9-15(6)17(10-2)18(20(7,8)21)13-16(12-14(4)5)19(22)11-3/h10,14-19H,2,9,11-13,22H2,1,3-8H3.
What are the key properties of 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine?
7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine has a molecular weight of 313.55 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6-(2-fluoropropan-2-yl)-8-methyl-4-(2-methylpropyl)decan-3-amine is sourced from PubChem (CID 138740119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).