N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C15H20N4 — CID 66808582

IUPACN'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(C2CCCCC2)ccc1C#N
InChIInChI=1S/C15H20N4/c1-19(2)11-17-15-13(10-16)8-9-14(18-15)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3
InChIKeyXUCXGYFBIHLELD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds3

About N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 66808582) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID66808582
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(C2CCCCC2)ccc1C#N
InChIInChI=1S/C15H20N4/c1-19(2)11-17-15-13(10-16)8-9-14(18-15)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3
InChIKeyXUCXGYFBIHLELD-UHFFFAOYSA-N
XLogP3.22
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 66808582) is N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(C2CCCCC2)ccc1C#N.
What is the InChIKey of N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is XUCXGYFBIHLELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(2)11-17-15-13(10-16)8-9-14(18-15)12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 256.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-6-cyclohexyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66808582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).