4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine

C17H27FN2 — CID 43830638

IUPAC4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
SMILESC=CCC(N)(c1ccccc1F)C(CCCC)N(C)C
InChIInChI=1S/C17H27FN2/c1-5-7-12-16(20(3)4)17(19,13-6-2)14-10-8-9-11-15(14)18/h6,8-11,16H,2,5,7,12-13,19H2,1,3-4H3
InChIKeyRZIDEOPZAHQOET-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.68
Rot. Bonds8

About 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine

4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine (PubChem CID 43830638) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
PubChem CID43830638
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
SMILESC=CCC(N)(c1ccccc1F)C(CCCC)N(C)C
InChIInChI=1S/C17H27FN2/c1-5-7-12-16(20(3)4)17(19,13-6-2)14-10-8-9-11-15(14)18/h6,8-11,16H,2,5,7,12-13,19H2,1,3-4H3
InChIKeyRZIDEOPZAHQOET-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
The IUPAC name of 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine (CID 43830638) is 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
The canonical SMILES for 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine is C=CCC(N)(c1ccccc1F)C(CCCC)N(C)C.
What is the InChIKey of 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
The InChIKey is RZIDEOPZAHQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-7-12-16(20(3)4)17(19,13-6-2)14-10-8-9-11-15(14)18/h6,8-11,16H,2,5,7,12-13,19H2,1,3-4H3.
What are the key properties of 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine?
4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine is sourced from PubChem (CID 43830638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).