ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine

C18H31N3 — CID 143541342

IUPACethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine
SMILESC=N/C(C)=C1/C(C)=NC=CN1CC1CCC(C)CC1.CC
InChIInChI=1S/C16H25N3.C2H6/c1-12-5-7-15(8-6-12)11-19-10-9-18-14(3)16(19)13(2)17-4;1-2/h9-10,12,15H,4-8,11H2,1-3H3;1-2H3/b16-13-;
InChIKeyHSUZQMQGNYNIEO-UNVLYCKESA-N
MW289.47 g/mol
LogP5.02
Rot. Bonds3

About ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine

ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine (PubChem CID 143541342) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine
PubChem CID143541342
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Nameethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine
SMILESC=N/C(C)=C1/C(C)=NC=CN1CC1CCC(C)CC1.CC
InChIInChI=1S/C16H25N3.C2H6/c1-12-5-7-15(8-6-12)11-19-10-9-18-14(3)16(19)13(2)17-4;1-2/h9-10,12,15H,4-8,11H2,1-3H3;1-2H3/b16-13-;
InChIKeyHSUZQMQGNYNIEO-UNVLYCKESA-N
XLogP5.02
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine?
The IUPAC name of ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine (CID 143541342) is ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine?
The canonical SMILES for ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine is C=N/C(C)=C1/C(C)=NC=CN1CC1CCC(C)CC1.CC.
What is the InChIKey of ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine?
The InChIKey is HSUZQMQGNYNIEO-UNVLYCKESA-N. The full InChI is InChI=1S/C16H25N3.C2H6/c1-12-5-7-15(8-6-12)11-19-10-9-18-14(3)16(19)13(2)17-4;1-2/h9-10,12,15H,4-8,11H2,1-3H3;1-2H3/b16-13-;.
What are the key properties of ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine?
ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine has a molecular weight of 289.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-1-[3-methyl-1-[(4-methylcyclohexyl)methyl]pyrazin-2-ylidene]ethyl]methanimine is sourced from PubChem (CID 143541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).