7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine

C13H25FN2 — CID 137400838

IUPAC7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
SMILESC=C(CC(N)CCC)C(CF)C/C(C)=N/C
InChIInChI=1S/C13H25FN2/c1-5-6-13(15)7-10(2)12(9-14)8-11(3)16-4/h12-13H,2,5-9,15H2,1,3-4H3/b16-11+
InChIKeyFHGOHLDDASYPQZ-LFIBNONCSA-N
MW228.35 g/mol
LogP3.13
Rot. Bonds8

About 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine

7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine (PubChem CID 137400838) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine.

Molecular Properties

Compound Name7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
PubChem CID137400838
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine
SMILESC=C(CC(N)CCC)C(CF)C/C(C)=N/C
InChIInChI=1S/C13H25FN2/c1-5-6-13(15)7-10(2)12(9-14)8-11(3)16-4/h12-13H,2,5-9,15H2,1,3-4H3/b16-11+
InChIKeyFHGOHLDDASYPQZ-LFIBNONCSA-N
XLogP3.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine?
The IUPAC name of 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine (CID 137400838) is 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine.
What is the SMILES notation for 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine?
The canonical SMILES for 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine is C=C(CC(N)CCC)C(CF)C/C(C)=N/C.
What is the InChIKey of 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine?
The InChIKey is FHGOHLDDASYPQZ-LFIBNONCSA-N. The full InChI is InChI=1S/C13H25FN2/c1-5-6-13(15)7-10(2)12(9-14)8-11(3)16-4/h12-13H,2,5-9,15H2,1,3-4H3/b16-11+.
What are the key properties of 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine?
7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine has a molecular weight of 228.35 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-6-methylidene-9-methyliminodecan-4-amine is sourced from PubChem (CID 137400838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).