N,N-dimethyl-N'-pyridin-4-ylmethanimidamide

C8H11N3 — CID 28493

IUPACN,N-dimethyl-N'-pyridin-4-ylmethanimidamide
SMILESCN(C)/C=N/c1ccncc1
InChIInChI=1S/C8H11N3/c1-11(2)7-10-8-3-5-9-6-4-8/h3-7H,1-2H3/b10-7+
InChIKeyVRORVZFBBZCSGQ-JXMROGBWSA-N
MW149.20 g/mol
LogP1.30
Rot. Bonds2

About N,N-dimethyl-N'-pyridin-4-ylmethanimidamide

N,N-dimethyl-N'-pyridin-4-ylmethanimidamide (PubChem CID 28493) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N,N-dimethyl-N'-pyridin-4-ylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-pyridin-4-ylmethanimidamide
PubChem CID28493
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN,N-dimethyl-N'-pyridin-4-ylmethanimidamide
SMILESCN(C)/C=N/c1ccncc1
InChIInChI=1S/C8H11N3/c1-11(2)7-10-8-3-5-9-6-4-8/h3-7H,1-2H3/b10-7+
InChIKeyVRORVZFBBZCSGQ-JXMROGBWSA-N
XLogP1.30
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.30
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,N-dimethyl-N'-pyridin-4-ylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-pyridin-4-ylmethanimidamide (CID 28493) is N,N-dimethyl-N'-pyridin-4-ylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-pyridin-4-ylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-pyridin-4-ylmethanimidamide is CN(C)/C=N/c1ccncc1.
What is the InChIKey of N,N-dimethyl-N'-pyridin-4-ylmethanimidamide?
The InChIKey is VRORVZFBBZCSGQ-JXMROGBWSA-N. The full InChI is InChI=1S/C8H11N3/c1-11(2)7-10-8-3-5-9-6-4-8/h3-7H,1-2H3/b10-7+.
What are the key properties of N,N-dimethyl-N'-pyridin-4-ylmethanimidamide?
N,N-dimethyl-N'-pyridin-4-ylmethanimidamide has a molecular weight of 149.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pyridin-4-ylmethanimidamide is sourced from PubChem (CID 28493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).