(Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride

C7H13FN2 — CID 162683362

IUPAC(Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride
SMILESCC/C=C(CN)\C(F)=N\C
InChIInChI=1S/C7H13FN2/c1-3-4-6(5-9)7(8)10-2/h4H,3,5,9H2,1-2H3/b6-4-,10-7-
InChIKeyHPBBSBUYABOABP-KFUKRSJGSA-N
MW144.19 g/mol
LogP1.28
Rot. Bonds3

About (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride

(Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride (PubChem CID 162683362) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride
PubChem CID162683362
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride
SMILESCC/C=C(CN)\C(F)=N\C
InChIInChI=1S/C7H13FN2/c1-3-4-6(5-9)7(8)10-2/h4H,3,5,9H2,1-2H3/b6-4-,10-7-
InChIKeyHPBBSBUYABOABP-KFUKRSJGSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride?
The IUPAC name of (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride (CID 162683362) is (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride is CC/C=C(CN)\C(F)=N\C.
What is the InChIKey of (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride?
The InChIKey is HPBBSBUYABOABP-KFUKRSJGSA-N. The full InChI is InChI=1S/C7H13FN2/c1-3-4-6(5-9)7(8)10-2/h4H,3,5,9H2,1-2H3/b6-4-,10-7-.
What are the key properties of (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride?
(Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride has a molecular weight of 144.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(aminomethyl)-N-methylpent-2-enimidoyl fluoride is sourced from PubChem (CID 162683362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).