2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine

C10H23FN2 — CID 176836483

IUPAC2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine
SMILESCC(C)CCCCNCC(F)CN
InChIInChI=1S/C10H23FN2/c1-9(2)5-3-4-6-13-8-10(11)7-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyWNOKKZNRMFBRGM-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.70
Rot. Bonds8

About 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine

2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine (PubChem CID 176836483) has the molecular formula C10H23FN2 and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine
PubChem CID176836483
Molecular FormulaC10H23FN2
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Name2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine
SMILESCC(C)CCCCNCC(F)CN
InChIInChI=1S/C10H23FN2/c1-9(2)5-3-4-6-13-8-10(11)7-12/h9-10,13H,3-8,12H2,1-2H3
InChIKeyWNOKKZNRMFBRGM-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.70
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 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine?
The IUPAC name of 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine (CID 176836483) is 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine.
What is the SMILES notation for 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine?
The canonical SMILES for 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine is CC(C)CCCCNCC(F)CN.
What is the InChIKey of 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine?
The InChIKey is WNOKKZNRMFBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN2/c1-9(2)5-3-4-6-13-8-10(11)7-12/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine?
2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine has a molecular weight of 190.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(5-methylhexyl)propane-1,3-diamine is sourced from PubChem (CID 176836483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).