(Z)-3-(2-fluoropropylamino)but-2-enimidamide

C7H14FN3 — CID 146481550

IUPAC(Z)-3-(2-fluoropropylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)NCC(C)F
InChIInChI=1S/C7H14FN3/c1-5(8)4-11-6(2)3-7(9)10/h3,5,11H,4H2,1-2H3,(H3,9,10)/b6-3-
InChIKeyBQNKAUXIJMYYEE-UTCJRWHESA-N
MW159.21 g/mol
LogP0.77
Rot. Bonds4

About (Z)-3-(2-fluoropropylamino)but-2-enimidamide

(Z)-3-(2-fluoropropylamino)but-2-enimidamide (PubChem CID 146481550) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is (Z)-3-(2-fluoropropylamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(2-fluoropropylamino)but-2-enimidamide
PubChem CID146481550
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name(Z)-3-(2-fluoropropylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)NCC(C)F
InChIInChI=1S/C7H14FN3/c1-5(8)4-11-6(2)3-7(9)10/h3,5,11H,4H2,1-2H3,(H3,9,10)/b6-3-
InChIKeyBQNKAUXIJMYYEE-UTCJRWHESA-N
XLogP0.77
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluoropropylamino)but-2-enimidamide?
The IUPAC name of (Z)-3-(2-fluoropropylamino)but-2-enimidamide (CID 146481550) is (Z)-3-(2-fluoropropylamino)but-2-enimidamide.
What is the SMILES notation for (Z)-3-(2-fluoropropylamino)but-2-enimidamide?
The canonical SMILES for (Z)-3-(2-fluoropropylamino)but-2-enimidamide is [H]/N=C(N)/C=C(/C)NCC(C)F.
What is the InChIKey of (Z)-3-(2-fluoropropylamino)but-2-enimidamide?
The InChIKey is BQNKAUXIJMYYEE-UTCJRWHESA-N. The full InChI is InChI=1S/C7H14FN3/c1-5(8)4-11-6(2)3-7(9)10/h3,5,11H,4H2,1-2H3,(H3,9,10)/b6-3-.
What are the key properties of (Z)-3-(2-fluoropropylamino)but-2-enimidamide?
(Z)-3-(2-fluoropropylamino)but-2-enimidamide has a molecular weight of 159.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluoropropylamino)but-2-enimidamide is sourced from PubChem (CID 146481550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).