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

C20H41N — CID 162008931

IUPACtert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
SMILESCC(C)(C)C1CCCCC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H20/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyYTEZHSYHWVGGCY-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.99
Rot. Bonds

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

tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine (PubChem CID 162008931) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine.

Molecular Properties

Compound Nametert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
PubChem CID162008931
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Nametert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
SMILESCC(C)(C)C1CCCCC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H20/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyYTEZHSYHWVGGCY-UHFFFAOYSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butylcyclopentadecane
CID 164774831
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
bis(tert-butylcyclohexane);bis(tert-butylcyclopentane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;(2R)-2-tert-butyl-1-methylpyrrolidine;(2S)-2-tert-butyl-1-methylpyrrolidine;bis(1-tert-butylpiperidine);methane
CID 159296584
4-tert-butyl-1-(trideuteriomethyl)piperidine
CID 176754624
bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
tert-butylbenzene;bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine;methane
CID 159135936

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine?
The IUPAC name of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine (CID 162008931) is tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine.
What is the SMILES notation for tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine?
The canonical SMILES for tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine is CC(C)(C)C1CCCCC1.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine?
The InChIKey is YTEZHSYHWVGGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H20/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3.
What are the key properties of tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine?
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine has a molecular weight of 295.56 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine is sourced from PubChem (CID 162008931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).