1,2-didodecyl-1,3-diazinane

C28H58N2 — CID 70559928

IUPAC1,2-didodecyl-1,3-diazinane
SMILESCCCCCCCCCCCCC1NCCCN1CCCCCCCCCCCC
InChIInChI=1S/C28H58N2/c1-3-5-7-9-11-13-15-17-19-21-24-28-29-25-23-27-30(28)26-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKeyWCHMEIGSZKVAKX-UHFFFAOYSA-N
MW422.79 g/mol
LogP8.84
Rot. Bonds22

About 1,2-didodecyl-1,3-diazinane

1,2-didodecyl-1,3-diazinane (PubChem CID 70559928) has the molecular formula C28H58N2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 1,2-didodecyl-1,3-diazinane.

Molecular Properties

Compound Name1,2-didodecyl-1,3-diazinane
PubChem CID70559928
Molecular FormulaC28H58N2
Molecular Weight422.79 g/mol
Exact Mass422.46
IUPAC Name1,2-didodecyl-1,3-diazinane
SMILESCCCCCCCCCCCCC1NCCCN1CCCCCCCCCCCC
InChIInChI=1S/C28H58N2/c1-3-5-7-9-11-13-15-17-19-21-24-28-29-25-23-27-30(28)26-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKeyWCHMEIGSZKVAKX-UHFFFAOYSA-N
XLogP8.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.79
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dipentyl-1,3-diazinane
CID 67611094
1-butyl-2-hexyl-1,3-diazinane
CID 163782424
2-(2-heptadecylimidazolidin-1-yl)acetic acid
CID 70577882
2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 142741314
(4R)-1-[4-[(4R)-4-heptyl-2-oxo-1,5-diazocan-1-yl]butyl]-4-pentyl-1,5-diazocan-2-one
CID 11454420
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-butyl-1-hexylpiperidine
CID 171569565
N-[2-(1-octyl-1,3-diazinan-2-yl)propan-2-yl]-N-phenylaniline
CID 21483380
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869

Frequently Asked Questions

What is the IUPAC name of 1,2-didodecyl-1,3-diazinane?
The IUPAC name of 1,2-didodecyl-1,3-diazinane (CID 70559928) is 1,2-didodecyl-1,3-diazinane.
What is the SMILES notation for 1,2-didodecyl-1,3-diazinane?
The canonical SMILES for 1,2-didodecyl-1,3-diazinane is CCCCCCCCCCCCC1NCCCN1CCCCCCCCCCCC.
What is the InChIKey of 1,2-didodecyl-1,3-diazinane?
The InChIKey is WCHMEIGSZKVAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N2/c1-3-5-7-9-11-13-15-17-19-21-24-28-29-25-23-27-30(28)26-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3.
What are the key properties of 1,2-didodecyl-1,3-diazinane?
1,2-didodecyl-1,3-diazinane has a molecular weight of 422.79 g/mol, XLogP of 8.84, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didodecyl-1,3-diazinane is sourced from PubChem (CID 70559928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).