cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine

C17H29N3 — CID 168894330

IUPACcyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1ccc(CCCCC)c/c1=N\[H]
InChIInChI=1S/C11H17N3.C6H12/c1-2-3-4-5-10-6-7-14(9-12)11(13)8-10;1-2-4-6-5-3-1/h6-9,12-13H,2-5H2,1H3;1-6H2/b12-9+,13-11+;
InChIKeyCZXZNIANFKANGO-DMOFRYFBSA-N
MW275.44 g/mol
LogP4.50
Rot. Bonds5

About cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine

cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine (PubChem CID 168894330) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine.

Molecular Properties

Compound Namecyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine
PubChem CID168894330
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Namecyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine
SMILESC1CCCCC1.[H]/N=C/n1ccc(CCCCC)c/c1=N\[H]
InChIInChI=1S/C11H17N3.C6H12/c1-2-3-4-5-10-6-7-14(9-12)11(13)8-10;1-2-4-6-5-3-1/h6-9,12-13H,2-5H2,1H3;1-6H2/b12-9+,13-11+;
InChIKeyCZXZNIANFKANGO-DMOFRYFBSA-N
XLogP4.50
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methanimidoyl-4-methoxypyridin-2-imine;methylcyclohexane
CID 168893760
(2-hydroxy-5-pentylphenyl) methanimidate
CID 142271017
1,3-di(tetradecyl)benzene
CID 91053224
1-(4-pentylphenoxy)piperidine
CID 91549351
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709
3-dodecyl-1-ethylpyrrole
CID 66960014
1-methyl-3-tricosylpyrrole
CID 68544519
1,2-dibromo-4-hexylbenzene
CID 54422362
2,4-dipentylbenzaldehyde
CID 19008550
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
3-undecylfuran
CID 13123134
3-octylfuran
CID 12700162

Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine?
The IUPAC name of cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine (CID 168894330) is cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine.
What is the SMILES notation for cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine?
The canonical SMILES for cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine is C1CCCCC1.[H]/N=C/n1ccc(CCCCC)c/c1=N\[H].
What is the InChIKey of cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine?
The InChIKey is CZXZNIANFKANGO-DMOFRYFBSA-N. The full InChI is InChI=1S/C11H17N3.C6H12/c1-2-3-4-5-10-6-7-14(9-12)11(13)8-10;1-2-4-6-5-3-1/h6-9,12-13H,2-5H2,1H3;1-6H2/b12-9+,13-11+;.
What are the key properties of cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine?
cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine has a molecular weight of 275.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine is sourced from PubChem (CID 168894330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).