(2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine

C14H27FN2 — CID 155084452

IUPAC(2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine
SMILESC=C/C(=N\C)C(CC)CCC[C@@H](CC)CNF
InChIInChI=1S/C14H27FN2/c1-5-12(11-17-15)9-8-10-13(6-2)14(7-3)16-4/h7,12-13,17H,3,5-6,8-11H2,1-2,4H3/b16-14+/t12-,13?/m1/s1
InChIKeyBFYMJEBEZUIVMT-CMWRLFAESA-N
MW242.38 g/mol
LogP3.94
Rot. Bonds10

About (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine

(2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine (PubChem CID 155084452) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine.

Molecular Properties

Compound Name(2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine
PubChem CID155084452
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name(2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine
SMILESC=C/C(=N\C)C(CC)CCC[C@@H](CC)CNF
InChIInChI=1S/C14H27FN2/c1-5-12(11-17-15)9-8-10-13(6-2)14(7-3)16-4/h7,12-13,17H,3,5-6,8-11H2,1-2,4H3/b16-14+/t12-,13?/m1/s1
InChIKeyBFYMJEBEZUIVMT-CMWRLFAESA-N
XLogP3.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine?
The IUPAC name of (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine (CID 155084452) is (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine.
What is the SMILES notation for (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine?
The canonical SMILES for (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine is C=C/C(=N\C)C(CC)CCC[C@@H](CC)CNF.
What is the InChIKey of (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine?
The InChIKey is BFYMJEBEZUIVMT-CMWRLFAESA-N. The full InChI is InChI=1S/C14H27FN2/c1-5-12(11-17-15)9-8-10-13(6-2)14(7-3)16-4/h7,12-13,17H,3,5-6,8-11H2,1-2,4H3/b16-14+/t12-,13?/m1/s1.
What are the key properties of (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine?
(2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine has a molecular weight of 242.38 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diethyl-N-fluoro-7-methyliminonon-8-en-1-amine is sourced from PubChem (CID 155084452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).