5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine

C14H23N3 — CID 168894107

IUPAC5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1cc(C)cc/c1=N\[H]
InChIInChI=1S/C14H23N3/c1-4-6-12(7-5-2)14(16)17-10-11(3)8-9-13(17)15/h8-10,12,15-16H,4-7H2,1-3H3/b15-13+,16-14+
InChIKeyIVKUVRSCNKTRKA-WXUKJITCSA-N
MW233.36 g/mol
LogP3.32
Rot. Bonds5

About 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine

5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine (PubChem CID 168894107) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
PubChem CID168894107
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
SMILES[H]/N=C(\C(CCC)CCC)n1cc(C)cc/c1=N\[H]
InChIInChI=1S/C14H23N3/c1-4-6-12(7-5-2)14(16)17-10-11(3)8-9-13(17)15/h8-10,12,15-16H,4-7H2,1-3H3/b15-13+,16-14+
InChIKeyIVKUVRSCNKTRKA-WXUKJITCSA-N
XLogP3.32
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.32
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

1-(Cyclohexanecarboximidoyl)-5-fluoropyridin-2-imine
CID 89624425
1-(2-Propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894032
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
CID 168894158
1-(Cyclohexanecarboximidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894242
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
CID 168894159
2-cyclohex-3-en-1-yl-1-[(3Z,5E)-6,7-dimethyl-10,10a-dihydro-2H-1-benzazocin-1-yl]ethanimine
CID 89531087
5-Methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 91128581
3-cyclohexa-2,4-dien-1-yl-N,N-diethylbutanimidamide
CID 126659987
(3,5-Dimethylpiperidin-1-yl)-(5-methylcyclohepta-1,4,6-trien-1-yl)methanimine;ethane
CID 141997071
1-Methanimidoyl-5-pentan-2-ylpyridin-2-imine
CID 144857480
(2S,5Z,7Z)-2-cyclohexyl-1-methyl-3,4-dihydro-2H-azonin-9-imine
CID 156075356
(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine
CID 166900860

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine?
The IUPAC name of 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine (CID 168894107) is 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine.
What is the SMILES notation for 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine?
The canonical SMILES for 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine is [H]/N=C(\C(CCC)CCC)n1cc(C)cc/c1=N\[H].
What is the InChIKey of 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine?
The InChIKey is IVKUVRSCNKTRKA-WXUKJITCSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-6-12(7-5-2)14(16)17-10-11(3)8-9-13(17)15/h8-10,12,15-16H,4-7H2,1-3H3/b15-13+,16-14+.
What are the key properties of 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine?
5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine has a molecular weight of 233.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-propylpentanimidoyl)pyridin-2-imine is sourced from PubChem (CID 168894107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).