N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide

C7H13N3 — CID 130436154

IUPACN'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
SMILESC=C(C)/C(N)=N\C(C)=N\C
InChIInChI=1S/C7H13N3/c1-5(2)7(8)10-6(3)9-4/h1H2,2-4H3,(H2,8,9,10)
InChIKeyWCDBVGSXXRZLNK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.97
Rot. Bonds1

About N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide

N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide (PubChem CID 130436154) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide.

Molecular Properties

Compound NameN'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
PubChem CID130436154
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
SMILESC=C(C)/C(N)=N\C(C)=N\C
InChIInChI=1S/C7H13N3/c1-5(2)7(8)10-6(3)9-4/h1H2,2-4H3,(H2,8,9,10)
InChIKeyWCDBVGSXXRZLNK-UHFFFAOYSA-N
XLogP0.97
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-propan-2-ylideneethanimidamide
CID 158478143
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
ethane;N'-methyl-N-propan-2-ylideneethanimidamide
CID 142000403
3-methyliminobut-1-en-2-amine
CID 142085830
N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
CID 135129023
N'-methylethanimidamide;vanadium
CID 161014708
2-methyl-N'-(2-methylpropyl)prop-2-enimidamide
CID 90961538
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471
1-aminoethenyl N-methylethanimidothioate
CID 154517185
prop-2-enyl N'-(C,N-dimethylcarbonimidoyl)-N-methylidenecarbamimidate
CID 166894165
prop-1-en-2-amine;yttrium
CID 158882655
1,2-dimethyl-1-prop-1-en-2-ylguanidine
CID 145170884

Frequently Asked Questions

What is the IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
The IUPAC name of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide (CID 130436154) is N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide.
What is the SMILES notation for N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
The canonical SMILES for N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide is C=C(C)/C(N)=N\C(C)=N\C.
What is the InChIKey of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
The InChIKey is WCDBVGSXXRZLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)7(8)10-6(3)9-4/h1H2,2-4H3,(H2,8,9,10).
What are the key properties of N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide?
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide is sourced from PubChem (CID 130436154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).