(5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione

C20H36N2O2 — CID 102226327

IUPAC(5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione
SMILESC=CC[C@@H]1N(C)C(=O)N(C)C(=O)[C@@]1(C)CCCCCCCCCC
InChIInChI=1S/C20H36N2O2/c1-6-8-9-10-11-12-13-14-16-20(3)17(15-7-2)21(4)19(24)22(5)18(20)23/h7,17H,2,6,8-16H2,1,3-5H3/t17-,20-/m0/s1
InChIKeyKMMMRVIEPVNPIZ-PXNSSMCTSA-N
MW336.52 g/mol
LogP4.99
Rot. Bonds11

About (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione

(5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione (PubChem CID 102226327) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione
PubChem CID102226327
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name(5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione
SMILESC=CC[C@@H]1N(C)C(=O)N(C)C(=O)[C@@]1(C)CCCCCCCCCC
InChIInChI=1S/C20H36N2O2/c1-6-8-9-10-11-12-13-14-16-20(3)17(15-7-2)21(4)19(24)22(5)18(20)23/h7,17H,2,6,8-16H2,1,3-5H3/t17-,20-/m0/s1
InChIKeyKMMMRVIEPVNPIZ-PXNSSMCTSA-N
XLogP4.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
trans-(2S,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
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1,3-dihexyl-3-sulfanylpyrrolidine-2,5-dione
CID 87207528
cis-(2R,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 101144207
5-dodecyl-5-hydroxy-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione (CID 102226327) is (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione is C=CC[C@@H]1N(C)C(=O)N(C)C(=O)[C@@]1(C)CCCCCCCCCC.
What is the InChIKey of (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione?
The InChIKey is KMMMRVIEPVNPIZ-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-6-8-9-10-11-12-13-14-16-20(3)17(15-7-2)21(4)19(24)22(5)18(20)23/h7,17H,2,6,8-16H2,1,3-5H3/t17-,20-/m0/s1.
What are the key properties of (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione?
(5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione has a molecular weight of 336.52 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-decyl-1,3,5-trimethyl-6-prop-2-enyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 102226327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).