4-ethyl-6-heptyl-1,3-diazinane

C13H28N2 — CID 146643055

IUPAC4-ethyl-6-heptyl-1,3-diazinane
SMILESCCCCCCCC1CC(CC)NCN1
InChIInChI=1S/C13H28N2/c1-3-5-6-7-8-9-13-10-12(4-2)14-11-15-13/h12-15H,3-11H2,1-2H3
InChIKeyFLYNRORMZUEHQF-UHFFFAOYSA-N
MW212.38 g/mol
LogP3.03
Rot. Bonds7

About 4-ethyl-6-heptyl-1,3-diazinane

4-ethyl-6-heptyl-1,3-diazinane (PubChem CID 146643055) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-ethyl-6-heptyl-1,3-diazinane.

Molecular Properties

Compound Name4-ethyl-6-heptyl-1,3-diazinane
PubChem CID146643055
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-ethyl-6-heptyl-1,3-diazinane
SMILESCCCCCCCC1CC(CC)NCN1
InChIInChI=1S/C13H28N2/c1-3-5-6-7-8-9-13-10-12(4-2)14-11-15-13/h12-15H,3-11H2,1-2H3
InChIKeyFLYNRORMZUEHQF-UHFFFAOYSA-N
XLogP3.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-pentylaziridine
CID 19101061
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
4-ethyl-6-methyl-1,3-diazinane
CID 146883415
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
6-pentylpiperidine-3,4-diol
CID 122657014
(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
CID 10402448
(2S)-2-hexylpyrrolidine
CID 7047826
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
2-hexyl-5-methylpiperazine
CID 153393891
2-octadecylpiperazine
CID 155671137
2-hexyl-5-methylpiperidine
CID 106778394

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-heptyl-1,3-diazinane?
The IUPAC name of 4-ethyl-6-heptyl-1,3-diazinane (CID 146643055) is 4-ethyl-6-heptyl-1,3-diazinane.
What is the SMILES notation for 4-ethyl-6-heptyl-1,3-diazinane?
The canonical SMILES for 4-ethyl-6-heptyl-1,3-diazinane is CCCCCCCC1CC(CC)NCN1.
What is the InChIKey of 4-ethyl-6-heptyl-1,3-diazinane?
The InChIKey is FLYNRORMZUEHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-6-7-8-9-13-10-12(4-2)14-11-15-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-6-heptyl-1,3-diazinane?
4-ethyl-6-heptyl-1,3-diazinane has a molecular weight of 212.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-heptyl-1,3-diazinane is sourced from PubChem (CID 146643055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).