1-methanimidoyl-6-propan-2-ylpyridin-2-imine

C9H13N3 — CID 145187993

IUPAC1-methanimidoyl-6-propan-2-ylpyridin-2-imine
SMILES[H]/N=C/n1c(C(C)C)ccc/c1=N\[H]
InChIInChI=1S/C9H13N3/c1-7(2)8-4-3-5-9(11)12(8)6-10/h3-7,10-11H,1-2H3/b10-6+,11-9+
InChIKeyGJIKAIODHLHQDI-BBYAVRKXSA-N
MW163.22 g/mol
LogP1.55
Rot. Bonds2

About 1-methanimidoyl-6-propan-2-ylpyridin-2-imine

1-methanimidoyl-6-propan-2-ylpyridin-2-imine (PubChem CID 145187993) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-methanimidoyl-6-propan-2-ylpyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-6-propan-2-ylpyridin-2-imine
PubChem CID145187993
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-methanimidoyl-6-propan-2-ylpyridin-2-imine
SMILES[H]/N=C/n1c(C(C)C)ccc/c1=N\[H]
InChIInChI=1S/C9H13N3/c1-7(2)8-4-3-5-9(11)12(8)6-10/h3-7,10-11H,1-2H3/b10-6+,11-9+
InChIKeyGJIKAIODHLHQDI-BBYAVRKXSA-N
XLogP1.55
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.55
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

N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555
5-Methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 91128581
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
1-But-1-en-2-ylpyridin-2-imine
CID 123544074
1-(3-Methylbut-1-en-2-yl)pyridin-2-imine
CID 123794310
6-Imino-1-(2-methylpropyl)pyridin-3-amine
CID 130374320
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
ethane;2-ethenyl-4-ethyl-7-methyl-7H-cyclohepta[b]pyrazin-3-imine
CID 144250119
1-Methanimidoyl-6-methylpyridin-2-imine
CID 144400700
ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559577
5-Ethyl-1-methyl-3-methylidenepyrrol-2-imine
CID 145221788

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-6-propan-2-ylpyridin-2-imine?
The IUPAC name of 1-methanimidoyl-6-propan-2-ylpyridin-2-imine (CID 145187993) is 1-methanimidoyl-6-propan-2-ylpyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-6-propan-2-ylpyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-6-propan-2-ylpyridin-2-imine is [H]/N=C/n1c(C(C)C)ccc/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-6-propan-2-ylpyridin-2-imine?
The InChIKey is GJIKAIODHLHQDI-BBYAVRKXSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)8-4-3-5-9(11)12(8)6-10/h3-7,10-11H,1-2H3/b10-6+,11-9+.
What are the key properties of 1-methanimidoyl-6-propan-2-ylpyridin-2-imine?
1-methanimidoyl-6-propan-2-ylpyridin-2-imine has a molecular weight of 163.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-6-propan-2-ylpyridin-2-imine is sourced from PubChem (CID 145187993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).