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

C94H197N7 — CID 159296584

IUPACbis(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
SMILESC.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCC[C@@H]1C(C)(C)C.CN1CCC[C@H]1C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.2C10H20.C9H20N2.4C9H19N.2C9H18.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)8-6-5-7-10(8)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-9(2,3)8-6-4-5-7-8;/h9H,5-8H2,1-4H3;2*9H,4-8H2,1-3H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;2*4-8H2,1-3H3;2*8H,4-7H2,1-3H3;1H4/t;;;;2*8-;;;;;/m....10...../s1
InChIKeyLAULKUZQECYEOV-PMAQPPDZSA-N
MW1425.66 g/mol
LogP26.51
Rot. Bonds

About 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

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 (PubChem CID 159296584) has the molecular formula C94H197N7 and a molecular weight of 1425.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159296584
Molecular FormulaC94H197N7
Molecular Weight1425.66 g/mol
Exact Mass1424.56
IUPAC Namebis(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
SMILESC.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCC[C@@H]1C(C)(C)C.CN1CCC[C@H]1C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.2C10H20.C9H20N2.4C9H19N.2C9H18.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)8-6-5-7-10(8)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-9(2,3)8-6-4-5-7-8;/h9H,5-8H2,1-4H3;2*9H,4-8H2,1-3H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;2*4-8H2,1-3H3;2*8H,4-7H2,1-3H3;1H4/t;;;;2*8-;;;;;/m....10...../s1
InChIKeyLAULKUZQECYEOV-PMAQPPDZSA-N
XLogP26.51
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.66
LogP ≤ 526.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
tert-butylbenzene;bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine;methane
CID 159135936
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
CID 156743098
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
tert-butylcyclobutane;tert-butylcyclohexane;bis(1-tert-butyl-4-methylpiperazine);2,2-dimethylpropane;ethane;methane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)
CID 158133550
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 160970317

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCC[C@@H]1C(C)(C)C.CN1CCC[C@H]1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is LAULKUZQECYEOV-PMAQPPDZSA-N. The full InChI is InChI=1S/C10H21N.2C10H20.C9H20N2.4C9H19N.2C9H18.CH4/c1-10(2,3)9-5-7-11(4)8-6-9;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;2*1-9(2,3)8-6-5-7-10(8)4;2*1-9(2,3)10-7-5-4-6-8-10;2*1-9(2,3)8-6-4-5-7-8;/h9H,5-8H2,1-4H3;2*9H,4-8H2,1-3H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;2*4-8H2,1-3H3;2*8H,4-7H2,1-3H3;1H4/t;;;;2*8-;;;;;/m....10...../s1.
What are the key properties of 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?
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 has a molecular weight of 1425.66 g/mol, XLogP of 26.51, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159296584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).