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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Related Compounds

N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 130459822
N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
CID 134287846
N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine
CID 135228935
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654692
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654848
(4E)-2,3-diethyl-4-hex-4-en-3-ylidene-5,6-dimethylidene-1-prop-2-enylidenepiperidin-1-ium
CID 174117495
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine
CID 143699564
1-cyclohexa-1,3-dien-1-yl-N-[1-(4-methylcyclohexen-1-yl)ethenyl]methanimine
CID 145073341
N-methyl-N-(2-methylbut-3-enyl)-2-[(3Z)-2-methylidene-3-prop-2-enylidene-4-pyridinyl]hex-5-en-1-amine
CID 172606854

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).