1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane

C14H30N2 — CID 154614439

IUPAC1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane
SMILESCC1CCN(C(C)(C)C)C(C(C)(C)C)N1C
InChIInChI=1S/C14H30N2/c1-11-9-10-16(14(5,6)7)12(15(11)8)13(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyHIDNFGCXOHWDIV-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.18
Rot. Bonds

About 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane

1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane (PubChem CID 154614439) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane.

Molecular Properties

Compound Name1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane
PubChem CID154614439
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane
SMILESCC1CCN(C(C)(C)C)C(C(C)(C)C)N1C
InChIInChI=1S/C14H30N2/c1-11-9-10-16(14(5,6)7)12(15(11)8)13(2,3)4/h11-12H,9-10H2,1-8H3
InChIKeyHIDNFGCXOHWDIV-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
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CID 15557486
1-tert-butyl-2,4,6-trimethylazocane
CID 166882089
(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one
CID 10867300
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpyrrolidine;ethane
CID 163972140
(2R,4S)-1-tert-butyl-2-methylpiperidine-4-carbonitrile
CID 171748472
(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
2-tert-butyl-2-azabicyclo[3.2.2]nonane
CID 58465122
(2R,7S)-1,2,7-trimethylazepane
CID 142119830
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CID 67209205

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane?
The IUPAC name of 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane (CID 154614439) is 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane.
What is the SMILES notation for 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane?
The canonical SMILES for 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane is CC1CCN(C(C)(C)C)C(C(C)(C)C)N1C.
What is the InChIKey of 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane?
The InChIKey is HIDNFGCXOHWDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11-9-10-16(14(5,6)7)12(15(11)8)13(2,3)4/h11-12H,9-10H2,1-8H3.
What are the key properties of 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane?
1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane has a molecular weight of 226.41 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane is sourced from PubChem (CID 154614439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).