(2E)-2-(fluoromethylidene)-4-methylpentan-1-amine

C7H14FN — CID 15595221

IUPAC(2E)-2-(fluoromethylidene)-4-methylpentan-1-amine
SMILESCC(C)C/C(=C\F)CN
InChIInChI=1S/C7H14FN/c1-6(2)3-7(4-8)5-9/h4,6H,3,5,9H2,1-2H3/b7-4+
InChIKeyGLJFZCGCJYROHC-QPJJXVBHSA-N
MW131.19 g/mol
LogP1.84
Rot. Bonds3

About (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine

(2E)-2-(fluoromethylidene)-4-methylpentan-1-amine (PubChem CID 15595221) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-4-methylpentan-1-amine
PubChem CID15595221
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2E)-2-(fluoromethylidene)-4-methylpentan-1-amine
SMILESCC(C)C/C(=C\F)CN
InChIInChI=1S/C7H14FN/c1-6(2)3-7(4-8)5-9/h4,6H,3,5,9H2,1-2H3/b7-4+
InChIKeyGLJFZCGCJYROHC-QPJJXVBHSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine?
The IUPAC name of (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine (CID 15595221) is (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine?
The canonical SMILES for (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine is CC(C)C/C(=C\F)CN.
What is the InChIKey of (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine?
The InChIKey is GLJFZCGCJYROHC-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)3-7(4-8)5-9/h4,6H,3,5,9H2,1-2H3/b7-4+.
What are the key properties of (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine?
(2E)-2-(fluoromethylidene)-4-methylpentan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)-4-methylpentan-1-amine is sourced from PubChem (CID 15595221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).