tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane

C29H59NO — CID 159488669

IUPACtert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H20.C9H18O/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyLXXFKNPZFFKIQV-UHFFFAOYSA-N
MW437.80 g/mol
LogP8.45
Rot. Bonds

About tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane

tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane (PubChem CID 159488669) has the molecular formula C29H59NO and a molecular weight of 437.80 g/mol. Its IUPAC name is tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane.

Molecular Properties

Compound Nametert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane
PubChem CID159488669
Molecular FormulaC29H59NO
Molecular Weight437.80 g/mol
Exact Mass437.46
IUPAC Nametert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H20.C9H18O/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyLXXFKNPZFFKIQV-UHFFFAOYSA-N
XLogP8.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(3-Tert-butyl-9-azaspiro[5.5]undecan-9-yl)propyl]morpholine
CID 417420
1'-(Oxan-4-ylmethyl)spiro[1,2,3a,4,5,6,7,7a-octahydroindene-3,4'-piperidine]
CID 68215929
4-Tert-butyl-1-[2-(oxan-3-yl)ethyl]piperidine
CID 68267873
(3S)-1-methyl-3-[2-methyl-2-[(5S)-5-methyloxan-3-yl]propyl]piperidine
CID 68307843
3-[2,2-Dimethyl-4-(oxan-4-yl)butyl]-4-(2,2-dimethylpropyl)-1-methylpiperidine
CID 124198907
4-Tert-butyl-4-methyl-1-(oxan-4-ylmethyl)piperidine
CID 126539819
1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine
CID 129159960
1-Tert-butyl-4-[2-methyl-2-(oxan-4-yl)propyl]piperidine
CID 129213662
4-[1-(4-Tert-butylcyclohexyl)oxy-2-methylpropan-2-yl]-1-methylpiperidine
CID 130219147
4-(4-Ethyloxan-4-yl)-1-(3-methylbutyl)piperidine
CID 132158210
1-(3-Methylbutyl)-4-(4-methyloxan-4-yl)piperidine
CID 132158288
4-[2-(4-Tert-butylcyclohexyl)oxypropan-2-yl]-1-methylpiperidine
CID 134184055

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane?
The IUPAC name of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane (CID 159488669) is tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane.
What is the SMILES notation for tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane?
The canonical SMILES for tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane?
The InChIKey is LXXFKNPZFFKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H20.C9H18O/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane?
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane has a molecular weight of 437.80 g/mol, XLogP of 8.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine;4-tert-butyloxane is sourced from PubChem (CID 159488669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).