N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide

C5H11N3 — CID 170941011

IUPACN'-[(dimethylamino)methyl]-N-methylidenemethanimidamide
SMILESC=N/C=N\CN(C)C
InChIInChI=1S/C5H11N3/c1-6-4-7-5-8(2)3/h4H,1,5H2,2-3H3/b7-4-
InChIKeyRUPAIVATDZZDMF-DAXSKMNVSA-N
MW113.16 g/mol
LogP0.23
Rot. Bonds3

About N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide

N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide (PubChem CID 170941011) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(dimethylamino)methyl]-N-methylidenemethanimidamide
PubChem CID170941011
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-[(dimethylamino)methyl]-N-methylidenemethanimidamide
SMILESC=N/C=N\CN(C)C
InChIInChI=1S/C5H11N3/c1-6-4-7-5-8(2)3/h4H,1,5H2,2-3H3/b7-4-
InChIKeyRUPAIVATDZZDMF-DAXSKMNVSA-N
XLogP0.23
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
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 N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide (CID 170941011) is N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide is C=N/C=N\CN(C)C.
What is the InChIKey of N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide?
The InChIKey is RUPAIVATDZZDMF-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H11N3/c1-6-4-7-5-8(2)3/h4H,1,5H2,2-3H3/b7-4-.
What are the key properties of N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide?
N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(dimethylamino)methyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 170941011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).