(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine

C6H14FN3 — CID 155411637

IUPAC(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine
SMILESCN/C=C(/NNC)C(C)F
InChIInChI=1S/C6H14FN3/c1-5(7)6(4-8-2)10-9-3/h4-5,8-10H,1-3H3/b6-4+
InChIKeyCHIJECMGLPTIBL-GQCTYLIASA-N
MW147.20 g/mol
LogP0.13
Rot. Bonds4

About (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine

(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine (PubChem CID 155411637) has the molecular formula C6H14FN3 and a molecular weight of 147.20 g/mol. Its IUPAC name is (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine
PubChem CID155411637
Molecular FormulaC6H14FN3
Molecular Weight147.20 g/mol
Exact Mass147.12
IUPAC Name(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine
SMILESCN/C=C(/NNC)C(C)F
InChIInChI=1S/C6H14FN3/c1-5(7)6(4-8-2)10-9-3/h4-5,8-10H,1-3H3/b6-4+
InChIKeyCHIJECMGLPTIBL-GQCTYLIASA-N
XLogP0.13
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine?
The IUPAC name of (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine (CID 155411637) is (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine?
The canonical SMILES for (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine is CN/C=C(/NNC)C(C)F.
What is the InChIKey of (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine?
The InChIKey is CHIJECMGLPTIBL-GQCTYLIASA-N. The full InChI is InChI=1S/C6H14FN3/c1-5(7)6(4-8-2)10-9-3/h4-5,8-10H,1-3H3/b6-4+.
What are the key properties of (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine?
(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine has a molecular weight of 147.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine is sourced from PubChem (CID 155411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).