N,N-dimethyl-N'-phenylmethoxymethanimidamide

C10H14N2O — CID 14715173

IUPACN,N-dimethyl-N'-phenylmethoxymethanimidamide
SMILESCN(C)/C=N/OCc1ccccc1
InChIInChI=1S/C10H14N2O/c1-12(2)9-11-13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b11-9+
InChIKeyPZRQWDGVYGSWLD-PKNBQFBNSA-N
MW178.23 g/mol
LogP1.71
Rot. Bonds4

About N,N-dimethyl-N'-phenylmethoxymethanimidamide

N,N-dimethyl-N'-phenylmethoxymethanimidamide (PubChem CID 14715173) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N,N-dimethyl-N'-phenylmethoxymethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-phenylmethoxymethanimidamide
PubChem CID14715173
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN,N-dimethyl-N'-phenylmethoxymethanimidamide
SMILESCN(C)/C=N/OCc1ccccc1
InChIInChI=1S/C10H14N2O/c1-12(2)9-11-13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b11-9+
InChIKeyPZRQWDGVYGSWLD-PKNBQFBNSA-N
XLogP1.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.71
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-phenylmethoxymethanimidamide?
The IUPAC name of N,N-dimethyl-N'-phenylmethoxymethanimidamide (CID 14715173) is N,N-dimethyl-N'-phenylmethoxymethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-phenylmethoxymethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-phenylmethoxymethanimidamide is CN(C)/C=N/OCc1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-phenylmethoxymethanimidamide?
The InChIKey is PZRQWDGVYGSWLD-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(2)9-11-13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b11-9+.
What are the key properties of N,N-dimethyl-N'-phenylmethoxymethanimidamide?
N,N-dimethyl-N'-phenylmethoxymethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-phenylmethoxymethanimidamide is sourced from PubChem (CID 14715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).