N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide

C8H13N3 — CID 76593341

IUPACN'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=NC1C=CC=CN1
InChIInChI=1S/C8H13N3/c1-11(2)7-10-8-5-3-4-6-9-8/h3-9H,1-2H3
InChIKeyWSRMBBSEGUCFLS-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.58
Rot. Bonds2

About N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide

N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 76593341) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID76593341
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=NC1C=CC=CN1
InChIInChI=1S/C8H13N3/c1-11(2)7-10-8-5-3-4-6-9-8/h3-9H,1-2H3
InChIKeyWSRMBBSEGUCFLS-UHFFFAOYSA-N
XLogP0.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
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'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide (CID 76593341) is N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=NC1C=CC=CN1.
What is the InChIKey of N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is WSRMBBSEGUCFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11(2)7-10-8-5-3-4-6-9-8/h3-9H,1-2H3.
What are the key properties of N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide?
N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 151.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 76593341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).