2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane

C15H28N2 — CID 54600401

IUPAC2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane
SMILESCC(C)=CCC/C(C)=C\C1N(C)CCCN1C
InChIInChI=1S/C15H28N2/c1-13(2)8-6-9-14(3)12-15-16(4)10-7-11-17(15)5/h8,12,15H,6-7,9-11H2,1-5H3/b14-12-
InChIKeyHRPUNUYSOQBKCV-OWBHPGMISA-N
MW236.40 g/mol
LogP3.27
Rot. Bonds4

About 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane (PubChem CID 54600401) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane.

Molecular Properties

Compound Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane
PubChem CID54600401
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane
SMILESCC(C)=CCC/C(C)=C\C1N(C)CCCN1C
InChIInChI=1S/C15H28N2/c1-13(2)8-6-9-14(3)12-15-16(4)10-7-11-17(15)5/h8,12,15H,6-7,9-11H2,1-5H3/b14-12-
InChIKeyHRPUNUYSOQBKCV-OWBHPGMISA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane?
The IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane (CID 54600401) is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane.
What is the SMILES notation for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane?
The canonical SMILES for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane is CC(C)=CCC/C(C)=C\C1N(C)CCCN1C.
What is the InChIKey of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane?
The InChIKey is HRPUNUYSOQBKCV-OWBHPGMISA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)8-6-9-14(3)12-15-16(4)10-7-11-17(15)5/h8,12,15H,6-7,9-11H2,1-5H3/b14-12-.
What are the key properties of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane?
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane has a molecular weight of 236.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-1,3-dimethyl-1,3-diazinane is sourced from PubChem (CID 54600401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).