1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine

C15H24N2 — CID 138539128

IUPAC1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=CCC\C1=N/C=C\C(C)C(C)(C)CC
InChIInChI=1S/C15H24N2/c1-5-15(3,4)12(2)10-11-17-14-9-7-6-8-13(14)16/h6,8,10-12,16H,5,7,9H2,1-4H3/b11-10-,16-13+,17-14+
InChIKeyFSQBFFHQEZPMRO-YNOJQECESA-N
MW232.37 g/mol
LogP4.38
Rot. Bonds4

About 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine

1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine (PubChem CID 138539128) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine
PubChem CID138539128
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=CCC\C1=N/C=C\C(C)C(C)(C)CC
InChIInChI=1S/C15H24N2/c1-5-15(3,4)12(2)10-11-17-14-9-7-6-8-13(14)16/h6,8,10-12,16H,5,7,9H2,1-4H3/b11-10-,16-13+,17-14+
InChIKeyFSQBFFHQEZPMRO-YNOJQECESA-N
XLogP4.38
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine?
The IUPAC name of 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine (CID 138539128) is 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine?
The canonical SMILES for 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine is [H]/N=C1\C=CCC\C1=N/C=C\C(C)C(C)(C)CC.
What is the InChIKey of 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine?
The InChIKey is FSQBFFHQEZPMRO-YNOJQECESA-N. The full InChI is InChI=1S/C15H24N2/c1-5-15(3,4)12(2)10-11-17-14-9-7-6-8-13(14)16/h6,8,10-12,16H,5,7,9H2,1-4H3/b11-10-,16-13+,17-14+.
What are the key properties of 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine?
1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine has a molecular weight of 232.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-3,4,4-trimethylhex-1-enyl]cyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 138539128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).