6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine

C13H29FN2 — CID 57226826

IUPAC6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine
SMILESCCC(CCC(C)C(C)NF)N(CC)CC
InChIInChI=1S/C13H29FN2/c1-6-13(16(7-2)8-3)10-9-11(4)12(5)15-14/h11-13,15H,6-10H2,1-5H3
InChIKeyAJWUMVPXWNNESR-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.39
Rot. Bonds9

About 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine

6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine (PubChem CID 57226826) has the molecular formula C13H29FN2 and a molecular weight of 232.39 g/mol. Its IUPAC name is 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine
PubChem CID57226826
Molecular FormulaC13H29FN2
Molecular Weight232.39 g/mol
Exact Mass232.23
IUPAC Name6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine
SMILESCCC(CCC(C)C(C)NF)N(CC)CC
InChIInChI=1S/C13H29FN2/c1-6-13(16(7-2)8-3)10-9-11(4)12(5)15-14/h11-13,15H,6-10H2,1-5H3
InChIKeyAJWUMVPXWNNESR-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine?
The IUPAC name of 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine (CID 57226826) is 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine.
What is the SMILES notation for 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine?
The canonical SMILES for 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine is CCC(CCC(C)C(C)NF)N(CC)CC.
What is the InChIKey of 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine?
The InChIKey is AJWUMVPXWNNESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29FN2/c1-6-13(16(7-2)8-3)10-9-11(4)12(5)15-14/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine?
6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine has a molecular weight of 232.39 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-diethyl-2-N-fluoro-3-methyloctane-2,6-diamine is sourced from PubChem (CID 57226826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).