5-fluoro-4-methyl-2-methylidenepentan-1-amine

C7H14FN — CID 170256845

IUPAC5-fluoro-4-methyl-2-methylidenepentan-1-amine
SMILESC=C(CN)CC(C)CF
InChIInChI=1S/C7H14FN/c1-6(4-8)3-7(2)5-9/h6H,2-5,9H2,1H3
InChIKeyPEPUOJRYHSUZJZ-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.50
Rot. Bonds4

About 5-fluoro-4-methyl-2-methylidenepentan-1-amine

5-fluoro-4-methyl-2-methylidenepentan-1-amine (PubChem CID 170256845) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-methylidenepentan-1-amine.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-methylidenepentan-1-amine
PubChem CID170256845
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name5-fluoro-4-methyl-2-methylidenepentan-1-amine
SMILESC=C(CN)CC(C)CF
InChIInChI=1S/C7H14FN/c1-6(4-8)3-7(2)5-9/h6H,2-5,9H2,1H3
InChIKeyPEPUOJRYHSUZJZ-UHFFFAOYSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-fluoro-4-methyl-2-methylidenepentan-1-amine?
The IUPAC name of 5-fluoro-4-methyl-2-methylidenepentan-1-amine (CID 170256845) is 5-fluoro-4-methyl-2-methylidenepentan-1-amine.
What is the SMILES notation for 5-fluoro-4-methyl-2-methylidenepentan-1-amine?
The canonical SMILES for 5-fluoro-4-methyl-2-methylidenepentan-1-amine is C=C(CN)CC(C)CF.
What is the InChIKey of 5-fluoro-4-methyl-2-methylidenepentan-1-amine?
The InChIKey is PEPUOJRYHSUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(4-8)3-7(2)5-9/h6H,2-5,9H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-methylidenepentan-1-amine?
5-fluoro-4-methyl-2-methylidenepentan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-methylidenepentan-1-amine is sourced from PubChem (CID 170256845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).