1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane

C21H48N6 — CID 159915862

IUPAC1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane
SMILESC1CNCNC1.CC1CC(C)NC(C)N1.CCC1CC(CC)NC(CC)N1
InChIInChI=1S/C10H22N2.C7H16N2.C4H10N2/c1-4-8-7-9(5-2)12-10(6-3)11-8;1-5-4-6(2)9-7(3)8-5;1-2-5-4-6-3-1/h8-12H,4-7H2,1-3H3;5-9H,4H2,1-3H3;5-6H,1-4H2
InChIKeyNXTPVYNCPPPWPG-UHFFFAOYSA-N
MW384.66 g/mol
LogP2.08
Rot. Bonds3

About 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane

1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane (PubChem CID 159915862) has the molecular formula C21H48N6 and a molecular weight of 384.66 g/mol. Its IUPAC name is 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane.

Molecular Properties

Compound Name1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane
PubChem CID159915862
Molecular FormulaC21H48N6
Molecular Weight384.66 g/mol
Exact Mass384.39
IUPAC Name1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane
SMILESC1CNCNC1.CC1CC(C)NC(C)N1.CCC1CC(CC)NC(CC)N1
InChIInChI=1S/C10H22N2.C7H16N2.C4H10N2/c1-4-8-7-9(5-2)12-10(6-3)11-8;1-5-4-6(2)9-7(3)8-5;1-2-5-4-6-3-1/h8-12H,4-7H2,1-3H3;5-9H,4H2,1-3H3;5-6H,1-4H2
InChIKeyNXTPVYNCPPPWPG-UHFFFAOYSA-N
XLogP2.08
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.66
LogP ≤ 52.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-triethyl-1,3-diazinane
CID 159915863
(2S,6S)-2,6-diethyl-4-methylpiperidine
CID 89305849
2-ethyl-4,7-dimethylazepane
CID 123848676
(2R,3aR,6aR)-2-ethyl-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole
CID 90066357
4-ethyl-6-methyl-1,3-diazinane
CID 146883415
2,6-diethyl-4-piperidin-1-ylpiperidine
CID 166046467
1-(4-ethylazetidin-2-yl)-N-iodomethanamine
CID 174247698
4-methanidyl-2,6-dimethyl-1,3-diazinane
CID 171585831
1,2,3,4,4a,5,5a,6,7,8,9,9a,10,10a-tetradecahydrophenazine;1,3-diazinane
CID 67866856
azane;1,3,6,10-tetrazacyclododecane
CID 174902715
1,3,5,8,12-pentazacyclotetradecane
CID 15757242
2,4-dimethyl-6-propylpiperidine
CID 126500183

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane?
The IUPAC name of 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane (CID 159915862) is 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane.
What is the SMILES notation for 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane?
The canonical SMILES for 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane is C1CNCNC1.CC1CC(C)NC(C)N1.CCC1CC(CC)NC(CC)N1.
What is the InChIKey of 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane?
The InChIKey is NXTPVYNCPPPWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C7H16N2.C4H10N2/c1-4-8-7-9(5-2)12-10(6-3)11-8;1-5-4-6(2)9-7(3)8-5;1-2-5-4-6-3-1/h8-12H,4-7H2,1-3H3;5-9H,4H2,1-3H3;5-6H,1-4H2.
What are the key properties of 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane?
1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane has a molecular weight of 384.66 g/mol, XLogP of 2.08, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane;2,4,6-triethyl-1,3-diazinane;2,4,6-trimethyl-1,3-diazinane is sourced from PubChem (CID 159915862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).