(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine

C6H12FN3 — CID 155735348

IUPAC(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine
SMILESCCC(=C/N)/C=N/C(N)F
InChIInChI=1S/C6H12FN3/c1-2-5(3-8)4-10-6(7)9/h3-4,6H,2,8-9H2,1H3/b5-3-,10-4+
InChIKeyPHZSSEYBDIHWOS-FJQHFOHYSA-N
MW145.18 g/mol
LogP0.52
Rot. Bonds3

About (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine

(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine (PubChem CID 155735348) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine
PubChem CID155735348
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine
SMILESCCC(=C/N)/C=N/C(N)F
InChIInChI=1S/C6H12FN3/c1-2-5(3-8)4-10-6(7)9/h3-4,6H,2,8-9H2,1H3/b5-3-,10-4+
InChIKeyPHZSSEYBDIHWOS-FJQHFOHYSA-N
XLogP0.52
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine?
The IUPAC name of (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine (CID 155735348) is (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine?
The canonical SMILES for (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine is CCC(=C/N)/C=N/C(N)F.
What is the InChIKey of (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine?
The InChIKey is PHZSSEYBDIHWOS-FJQHFOHYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-2-5(3-8)4-10-6(7)9/h3-4,6H,2,8-9H2,1H3/b5-3-,10-4+.
What are the key properties of (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine?
(Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine has a molecular weight of 145.18 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-[amino(fluoro)methyl]iminomethyl]but-1-en-1-amine is sourced from PubChem (CID 155735348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).