1-methanimidoyl-5-pentan-2-ylpyridin-2-imine

C11H17N3 — CID 144857480

IUPAC1-methanimidoyl-5-pentan-2-ylpyridin-2-imine
SMILES[H]/N=C/n1cc(C(C)CCC)cc/c1=N\[H]
InChIInChI=1S/C11H17N3/c1-3-4-9(2)10-5-6-11(13)14(7-10)8-12/h5-9,12-13H,3-4H2,1-2H3/b12-8+,13-11+
InChIKeyLIDLPUNGUOZKCS-UHSWXSRBSA-N
MW191.28 g/mol
LogP2.33
Rot. Bonds4

About 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine

1-methanimidoyl-5-pentan-2-ylpyridin-2-imine (PubChem CID 144857480) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-5-pentan-2-ylpyridin-2-imine
PubChem CID144857480
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-methanimidoyl-5-pentan-2-ylpyridin-2-imine
SMILES[H]/N=C/n1cc(C(C)CCC)cc/c1=N\[H]
InChIInChI=1S/C11H17N3/c1-3-4-9(2)10-5-6-11(13)14(7-10)8-12/h5-9,12-13H,3-4H2,1-2H3/b12-8+,13-11+
InChIKeyLIDLPUNGUOZKCS-UHSWXSRBSA-N
XLogP2.33
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
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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Related Compounds

4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 155727312
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1-Methyl-5-(3-methylbuta-1,3-dien-2-yl)pyridin-2-imine
CID 132050965
4-Cyclopropyl-1-methylpyridin-2-imine
CID 139498811
Ethane;1-methanimidoyl-5-methylpyridin-2-imine
CID 144213420
5-Cyclopropyl-4-ethyl-1-methanimidoylpyridin-2-imine
CID 144721715
1-Methanimidoyl-4-propan-2-ylpyridin-2-imine
CID 145187981
Ethane;5-ethyl-1-methanimidoylpyridin-2-imine
CID 145188459
(E)-N-iodo-1-methanimidoyl-5-propan-2-ylpyridin-2-imine
CID 163219075
Carbanide;1-methanimidoyl-5-propan-2-ylpyridin-2-imine;rubidium(1+)
CID 163219092
Carbanide;1-methanimidoyl-4-propan-2-ylpyridin-2-imine;rubidium(1+)
CID 163219188
ethane;4-propan-2-yl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 168190456

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine?
The IUPAC name of 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine (CID 144857480) is 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine is [H]/N=C/n1cc(C(C)CCC)cc/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine?
The InChIKey is LIDLPUNGUOZKCS-UHSWXSRBSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-4-9(2)10-5-6-11(13)14(7-10)8-12/h5-9,12-13H,3-4H2,1-2H3/b12-8+,13-11+.
What are the key properties of 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine?
1-methanimidoyl-5-pentan-2-ylpyridin-2-imine has a molecular weight of 191.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-5-pentan-2-ylpyridin-2-imine is sourced from PubChem (CID 144857480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).