(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one

C15H30N2O2 — CID 46197906

IUPAC(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one
SMILESCCCCCCCCCCN1C(=O)NCC[C@H]1CO
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-12-17-14(13-18)10-11-16-15(17)19/h14,18H,2-13H2,1H3,(H,16,19)/t14-/m0/s1
InChIKeyCEHMDUGOJLJMKA-AWEZNQCLSA-N
MW270.42 g/mol
LogP2.90
Rot. Bonds10

About (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one

(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one (PubChem CID 46197906) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one
PubChem CID46197906
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one
SMILESCCCCCCCCCCN1C(=O)NCC[C@H]1CO
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-12-17-14(13-18)10-11-16-15(17)19/h14,18H,2-13H2,1H3,(H,16,19)/t14-/m0/s1
InChIKeyCEHMDUGOJLJMKA-AWEZNQCLSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one?
The IUPAC name of (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one (CID 46197906) is (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one.
What is the SMILES notation for (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one?
The canonical SMILES for (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one is CCCCCCCCCCN1C(=O)NCC[C@H]1CO.
What is the InChIKey of (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one?
The InChIKey is CEHMDUGOJLJMKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-12-17-14(13-18)10-11-16-15(17)19/h14,18H,2-13H2,1H3,(H,16,19)/t14-/m0/s1.
What are the key properties of (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one?
(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one has a molecular weight of 270.42 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 46197906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).