N'-(4-propan-2-yl-2-pyridinyl)methanimidamide

C9H13N3 — CID 164561607

IUPACN'-(4-propan-2-yl-2-pyridinyl)methanimidamide
SMILESCC(C)c1ccnc(/N=C/N)c1
InChIInChI=1S/C9H13N3/c1-7(2)8-3-4-11-9(5-8)12-6-10/h3-7H,1-2H3,(H2,10,11,12)
InChIKeyAYHJEZSGZUWHLL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.82
Rot. Bonds2

About N'-(4-propan-2-yl-2-pyridinyl)methanimidamide

N'-(4-propan-2-yl-2-pyridinyl)methanimidamide (PubChem CID 164561607) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N'-(4-propan-2-yl-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN'-(4-propan-2-yl-2-pyridinyl)methanimidamide
PubChem CID164561607
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN'-(4-propan-2-yl-2-pyridinyl)methanimidamide
SMILESCC(C)c1ccnc(/N=C/N)c1
InChIInChI=1S/C9H13N3/c1-7(2)8-3-4-11-9(5-8)12-6-10/h3-7H,1-2H3,(H2,10,11,12)
InChIKeyAYHJEZSGZUWHLL-UHFFFAOYSA-N
XLogP1.82
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.82
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'-(4-propan-2-yl-2-pyridinyl)methanimidamide?
The IUPAC name of N'-(4-propan-2-yl-2-pyridinyl)methanimidamide (CID 164561607) is N'-(4-propan-2-yl-2-pyridinyl)methanimidamide.
What is the SMILES notation for N'-(4-propan-2-yl-2-pyridinyl)methanimidamide?
The canonical SMILES for N'-(4-propan-2-yl-2-pyridinyl)methanimidamide is CC(C)c1ccnc(/N=C/N)c1.
What is the InChIKey of N'-(4-propan-2-yl-2-pyridinyl)methanimidamide?
The InChIKey is AYHJEZSGZUWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)8-3-4-11-9(5-8)12-6-10/h3-7H,1-2H3,(H2,10,11,12).
What are the key properties of N'-(4-propan-2-yl-2-pyridinyl)methanimidamide?
N'-(4-propan-2-yl-2-pyridinyl)methanimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yl-2-pyridinyl)methanimidamide is sourced from PubChem (CID 164561607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).