N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine

C15H26N4 — CID 129074855

IUPACN-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine
SMILESCC/N=C(\C=N\C1CC=CC[C@H]1C)N1CCNCC1
InChIInChI=1S/C15H26N4/c1-3-17-15(19-10-8-16-9-11-19)12-18-14-7-5-4-6-13(14)2/h4-5,12-14,16H,3,6-11H2,1-2H3/b17-15+,18-12+/t13-,14?/m1/s1
InChIKeyKXUCPEQRWGQKFE-XPQGWHCDSA-N
MW262.40 g/mol
LogP1.74
Rot. Bonds3

About N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine

N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine (PubChem CID 129074855) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine.

Molecular Properties

Compound NameN-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine
PubChem CID129074855
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine
SMILESCC/N=C(\C=N\C1CC=CC[C@H]1C)N1CCNCC1
InChIInChI=1S/C15H26N4/c1-3-17-15(19-10-8-16-9-11-19)12-18-14-7-5-4-6-13(14)2/h4-5,12-14,16H,3,6-11H2,1-2H3/b17-15+,18-12+/t13-,14?/m1/s1
InChIKeyKXUCPEQRWGQKFE-XPQGWHCDSA-N
XLogP1.74
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine?
The IUPAC name of N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine (CID 129074855) is N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine.
What is the SMILES notation for N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine?
The canonical SMILES for N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine is CC/N=C(\C=N\C1CC=CC[C@H]1C)N1CCNCC1.
What is the InChIKey of N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine?
The InChIKey is KXUCPEQRWGQKFE-XPQGWHCDSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-17-15(19-10-8-16-9-11-19)12-18-14-7-5-4-6-13(14)2/h4-5,12-14,16H,3,6-11H2,1-2H3/b17-15+,18-12+/t13-,14?/m1/s1.
What are the key properties of N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine?
N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine has a molecular weight of 262.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(6R)-6-methylcyclohex-3-en-1-yl]-1-piperazin-1-ylethane-1,2-diimine is sourced from PubChem (CID 129074855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).