(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide

C8H16ClN3O — CID 90453490

IUPAC(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide
SMILESC/N=C(N[C@H](C)COC)/C(Cl)=C\N
InChIInChI=1S/C8H16ClN3O/c1-6(5-13-3)12-8(11-2)7(9)4-10/h4,6H,5,10H2,1-3H3,(H,11,12)/b7-4+/t6-/m1/s1
InChIKeyUOUDBAHEVPQBHO-LTYDNXFVSA-N
MW205.69 g/mol
LogP0.68
Rot. Bonds4

About (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide

(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide (PubChem CID 90453490) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide
PubChem CID90453490
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide
SMILESC/N=C(N[C@H](C)COC)/C(Cl)=C\N
InChIInChI=1S/C8H16ClN3O/c1-6(5-13-3)12-8(11-2)7(9)4-10/h4,6H,5,10H2,1-3H3,(H,11,12)/b7-4+/t6-/m1/s1
InChIKeyUOUDBAHEVPQBHO-LTYDNXFVSA-N
XLogP0.68
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide?
The IUPAC name of (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide (CID 90453490) is (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide.
What is the SMILES notation for (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide?
The canonical SMILES for (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide is C/N=C(N[C@H](C)COC)/C(Cl)=C\N.
What is the InChIKey of (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide?
The InChIKey is UOUDBAHEVPQBHO-LTYDNXFVSA-N. The full InChI is InChI=1S/C8H16ClN3O/c1-6(5-13-3)12-8(11-2)7(9)4-10/h4,6H,5,10H2,1-3H3,(H,11,12)/b7-4+/t6-/m1/s1.
What are the key properties of (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide?
(E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide has a molecular weight of 205.69 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-chloro-N-[(2R)-1-methoxypropan-2-yl]-N'-methylprop-2-enimidamide is sourced from PubChem (CID 90453490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).