butane;1,2,2,4,6,6-hexamethylpiperidine;methane

C16H37N — CID 158536756

IUPACbutane;1,2,2,4,6,6-hexamethylpiperidine;methane
SMILESC.CC1CC(C)(C)N(C)C(C)(C)C1.CCCC
InChIInChI=1S/C11H23N.C4H10.CH4/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-3-4-2;/h9H,7-8H2,1-6H3;3-4H2,1-2H3;1H4
InChIKeyHOAOLIPZMFFBOX-UHFFFAOYSA-N
MW243.48 g/mol
LogP5.35
Rot. Bonds1

About butane;1,2,2,4,6,6-hexamethylpiperidine;methane

butane;1,2,2,4,6,6-hexamethylpiperidine;methane (PubChem CID 158536756) has the molecular formula C16H37N and a molecular weight of 243.48 g/mol. Its IUPAC name is butane;1,2,2,4,6,6-hexamethylpiperidine;methane.

Molecular Properties

Compound Namebutane;1,2,2,4,6,6-hexamethylpiperidine;methane
PubChem CID158536756
Molecular FormulaC16H37N
Molecular Weight243.48 g/mol
Exact Mass243.29
IUPAC Namebutane;1,2,2,4,6,6-hexamethylpiperidine;methane
SMILESC.CC1CC(C)(C)N(C)C(C)(C)C1.CCCC
InChIInChI=1S/C11H23N.C4H10.CH4/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-3-4-2;/h9H,7-8H2,1-6H3;3-4H2,1-2H3;1H4
InChIKeyHOAOLIPZMFFBOX-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pempidine
CID 6603
Piperidine, 1-ethyl-2,2,6,6-tetramethyl-
CID 122564
Pempidine hydrochloride
CID 201521
1-Ethyl-3-(2-methylbutyl)piperidine
CID 3016925
1,2,2,6-Tetramethylpiperidine
CID 23423758
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
1,2,4,6-Tetramethylpiperidine
CID 435108
1-(1,5,9-Trimethyl-decyl)-piperidine
CID 44271489
2,2,6,6-Tetramethyldecylpiperidine
CID 129078
Piperidine, 1-dodecyl-3-methyl-
CID 430050
1-(3,7-Dimethyloctyl)-1-methylpiperidinium iodide
CID 11474071
1-(3,7-Dimethyloctyl)piperidine
CID 13254823

Frequently Asked Questions

What is the IUPAC name of butane;1,2,2,4,6,6-hexamethylpiperidine;methane?
The IUPAC name of butane;1,2,2,4,6,6-hexamethylpiperidine;methane (CID 158536756) is butane;1,2,2,4,6,6-hexamethylpiperidine;methane.
What is the SMILES notation for butane;1,2,2,4,6,6-hexamethylpiperidine;methane?
The canonical SMILES for butane;1,2,2,4,6,6-hexamethylpiperidine;methane is C.CC1CC(C)(C)N(C)C(C)(C)C1.CCCC.
What is the InChIKey of butane;1,2,2,4,6,6-hexamethylpiperidine;methane?
The InChIKey is HOAOLIPZMFFBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C4H10.CH4/c1-9-7-10(2,3)12(6)11(4,5)8-9;1-3-4-2;/h9H,7-8H2,1-6H3;3-4H2,1-2H3;1H4.
What are the key properties of butane;1,2,2,4,6,6-hexamethylpiperidine;methane?
butane;1,2,2,4,6,6-hexamethylpiperidine;methane has a molecular weight of 243.48 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,2,2,4,6,6-hexamethylpiperidine;methane is sourced from PubChem (CID 158536756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).