2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane

C12H26N2 — CID 12685498

IUPAC2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane
SMILESCN1CC(C)(C)CN(C)C1C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)10-13(6)8-12(4,5)9-14(10)7/h10H,8-9H2,1-7H3
InChIKeyIKOBFXOXZHYHBG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.26
Rot. Bonds

About 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane

2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane (PubChem CID 12685498) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane.

Molecular Properties

Compound Name2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane
PubChem CID12685498
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane
SMILESCN1CC(C)(C)CN(C)C1C(C)(C)C
InChIInChI=1S/C12H26N2/c1-11(2,3)10-13(6)8-12(4,5)9-14(10)7/h10H,8-9H2,1-7H3
InChIKeyIKOBFXOXZHYHBG-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Triazine, hexahydro-1,3,5-tripropyl-
CID 83068
1,3,5-Tris(2,2-dimethylpropyl)-1,3,5-triazinane
CID 328595
1,3-Di(propan-2-yl)hexahydropyrimidine
CID 12634509
3-[3,5-bis[3-(diethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-diethylpropan-1-amine
CID 350168
1,3,5-Trimethylhexahydropyrimidine
CID 5256154
3-Ethyl-5-(fluoromethyl)-1,1-dimethyl-1,3-diazinan-1-ium
CID 123704793
1,2-Ditert-butyl-4-fluoro-3-methyl-1,3-diazinane
CID 154614425
(2S)-1,2-ditert-butyl-4-fluoro-3-methyl-1,3-diazinane
CID 155036229
2-Ethyl-1,3-dimethylhexahydropyrimidine
CID 297260
1,3-Dipropyl-1,3-diazinane
CID 3405835
5-Methyl-1,5,9-triazabicyclo[7.3.1]tridecane
CID 10526446
InChI=1/C7H16N2/c1-7-8(2)5-4-6-9(7)3/h7H,4-6H2,1-3H
CID 12634506

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane?
The IUPAC name of 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane (CID 12685498) is 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane.
What is the SMILES notation for 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane?
The canonical SMILES for 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane is CN1CC(C)(C)CN(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane?
The InChIKey is IKOBFXOXZHYHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)10-13(6)8-12(4,5)9-14(10)7/h10H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane?
2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane has a molecular weight of 198.35 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,5,5-tetramethyl-1,3-diazinane is sourced from PubChem (CID 12685498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).