N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine

C18H25N3 — CID 121400281

IUPACN-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)N=CC(=C)N1/C(=C\C)C1CCCCC1
InChIInChI=1S/C18H25N3/c1-5-17(16-9-7-6-8-10-16)21-14(2)13-20-15(3)18(21)11-12-19-4/h5,11-13,16H,2,4,6-10H2,1,3H3/b12-11-,17-5-
InChIKeyKNRDJKYXGHKNFP-CSQKBPLVSA-N
MW283.42 g/mol
LogP4.82
Rot. Bonds4

About N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine

N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine (PubChem CID 121400281) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine
PubChem CID121400281
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine
SMILESC=N/C=C\C1=C(C)N=CC(=C)N1/C(=C\C)C1CCCCC1
InChIInChI=1S/C18H25N3/c1-5-17(16-9-7-6-8-10-16)21-14(2)13-20-15(3)18(21)11-12-19-4/h5,11-13,16H,2,4,6-10H2,1,3H3/b12-11-,17-5-
InChIKeyKNRDJKYXGHKNFP-CSQKBPLVSA-N
XLogP4.82
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine (CID 121400281) is N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine is C=N/C=C\C1=C(C)N=CC(=C)N1/C(=C\C)C1CCCCC1.
What is the InChIKey of N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine?
The InChIKey is KNRDJKYXGHKNFP-CSQKBPLVSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-17(16-9-7-6-8-10-16)21-14(2)13-20-15(3)18(21)11-12-19-4/h5,11-13,16H,2,4,6-10H2,1,3H3/b12-11-,17-5-.
What are the key properties of N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine?
N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine has a molecular weight of 283.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine is sourced from PubChem (CID 121400281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).