N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide

C10H15N5 — CID 159966588

IUPACN'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide
SMILESCNC(C#N)=C(C#N)/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H15N5/c1-10(2,3)15-9(13)7(5-11)8(6-12)14-4/h14H,1-4H3,(H2,13,15)
InChIKeyUVJLVVLNGQZNEF-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.66
Rot. Bonds2

About N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide

N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide (PubChem CID 159966588) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound NameN'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide
PubChem CID159966588
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide
SMILESCNC(C#N)=C(C#N)/C(N)=N/C(C)(C)C
InChIInChI=1S/C10H15N5/c1-10(2,3)15-9(13)7(5-11)8(6-12)14-4/h14H,1-4H3,(H2,13,15)
InChIKeyUVJLVVLNGQZNEF-UHFFFAOYSA-N
XLogP0.66
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide?
The IUPAC name of N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide (CID 159966588) is N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide.
What is the SMILES notation for N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide?
The canonical SMILES for N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide is CNC(C#N)=C(C#N)/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide?
The InChIKey is UVJLVVLNGQZNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-10(2,3)15-9(13)7(5-11)8(6-12)14-4/h14H,1-4H3,(H2,13,15).
What are the key properties of N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide?
N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide has a molecular weight of 205.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2,3-dicyano-3-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 159966588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).