(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine

C6H11FN2 — CID 89418419

IUPAC(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine
SMILES[H]/N=C/C(F)=C(\N)C(C)C
InChIInChI=1S/C6H11FN2/c1-4(2)6(9)5(7)3-8/h3-4,8H,9H2,1-2H3/b6-5+,8-3+
InChIKeyXSPGCMKOFZUXSQ-ZDSYRHETSA-N
MW130.17 g/mol
LogP1.43
Rot. Bonds2

About (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine

(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine (PubChem CID 89418419) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine.

Molecular Properties

Compound Name(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine
PubChem CID89418419
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine
SMILES[H]/N=C/C(F)=C(\N)C(C)C
InChIInChI=1S/C6H11FN2/c1-4(2)6(9)5(7)3-8/h3-4,8H,9H2,1-2H3/b6-5+,8-3+
InChIKeyXSPGCMKOFZUXSQ-ZDSYRHETSA-N
XLogP1.43
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine?
The IUPAC name of (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine (CID 89418419) is (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine.
What is the SMILES notation for (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine?
The canonical SMILES for (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine is [H]/N=C/C(F)=C(\N)C(C)C.
What is the InChIKey of (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine?
The InChIKey is XSPGCMKOFZUXSQ-ZDSYRHETSA-N. The full InChI is InChI=1S/C6H11FN2/c1-4(2)6(9)5(7)3-8/h3-4,8H,9H2,1-2H3/b6-5+,8-3+.
What are the key properties of (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine?
(E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine has a molecular weight of 130.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-1-imino-4-methylpent-2-en-3-amine is sourced from PubChem (CID 89418419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).