N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide

C7H17N3O — CID 21015473

IUPACN'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide
SMILESCOC(/N=C/N(C)C)N(C)C
InChIInChI=1S/C7H17N3O/c1-9(2)6-8-7(11-5)10(3)4/h6-7H,1-5H3/b8-6+
InChIKeyXDZNTRNGGFGSQT-SOFGYWHQSA-N
MW159.23 g/mol
LogP0.07
Rot. Bonds4

About N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide

N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide (PubChem CID 21015473) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide
PubChem CID21015473
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide
SMILESCOC(/N=C/N(C)C)N(C)C
InChIInChI=1S/C7H17N3O/c1-9(2)6-8-7(11-5)10(3)4/h6-7H,1-5H3/b8-6+
InChIKeyXDZNTRNGGFGSQT-SOFGYWHQSA-N
XLogP0.07
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide (CID 21015473) is N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide is COC(/N=C/N(C)C)N(C)C.
What is the InChIKey of N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide?
The InChIKey is XDZNTRNGGFGSQT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H17N3O/c1-9(2)6-8-7(11-5)10(3)4/h6-7H,1-5H3/b8-6+.
What are the key properties of N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide?
N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[dimethylamino(methoxy)methyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 21015473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).