N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine

C20H35FN2 — CID 10245597

IUPACN'-decyl-1-(4-fluorophenyl)butane-1,4-diamine
SMILESCCCCCCCCCCNCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C20H35FN2/c1-2-3-4-5-6-7-8-9-16-23-17-10-11-20(22)18-12-14-19(21)15-13-18/h12-15,20,23H,2-11,16-17,22H2,1H3
InChIKeyGUETZQWELLLRDL-UHFFFAOYSA-N
MW322.51 g/mol
LogP5.34
Rot. Bonds14

About N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine

N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine (PubChem CID 10245597) has the molecular formula C20H35FN2 and a molecular weight of 322.51 g/mol. Its IUPAC name is N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-decyl-1-(4-fluorophenyl)butane-1,4-diamine
PubChem CID10245597
Molecular FormulaC20H35FN2
Molecular Weight322.51 g/mol
Exact Mass322.28
IUPAC NameN'-decyl-1-(4-fluorophenyl)butane-1,4-diamine
SMILESCCCCCCCCCCNCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C20H35FN2/c1-2-3-4-5-6-7-8-9-16-23-17-10-11-20(22)18-12-14-19(21)15-13-18/h12-15,20,23H,2-11,16-17,22H2,1H3
InChIKeyGUETZQWELLLRDL-UHFFFAOYSA-N
XLogP5.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.51
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine?
The IUPAC name of N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine (CID 10245597) is N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine.
What is the SMILES notation for N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine?
The canonical SMILES for N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine is CCCCCCCCCCNCCCC(N)c1ccc(F)cc1.
What is the InChIKey of N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine?
The InChIKey is GUETZQWELLLRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FN2/c1-2-3-4-5-6-7-8-9-16-23-17-10-11-20(22)18-12-14-19(21)15-13-18/h12-15,20,23H,2-11,16-17,22H2,1H3.
What are the key properties of N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine?
N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine has a molecular weight of 322.51 g/mol, XLogP of 5.34, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-1-(4-fluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 10245597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).