1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane

C58H118N6O5 — CID 162006602

IUPAC1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane
SMILESC.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)N1CCCCC1.CCC(=O)CCC(C)(C)C
InChIInChI=1S/C11H21NO.C10H21N.C9H18N2O.C9H17NO2.C9H19N.C9H18O.CH4/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)10-7-5-4-6-8-10;1-5-8(10)6-7-9(2,3)4;/h9H,4-8H2,1-3H3,(H,12,13);4-9H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;5-7H2,1-4H3;1H4
InChIKeyYSXLZCWWEQEJSM-UHFFFAOYSA-N
MW979.62 g/mol
LogP12.05
Rot. Bonds5

About 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane

1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane (PubChem CID 162006602) has the molecular formula C58H118N6O5 and a molecular weight of 979.62 g/mol. Its IUPAC name is 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane.

Molecular Properties

Compound Name1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane
PubChem CID162006602
Molecular FormulaC58H118N6O5
Molecular Weight979.62 g/mol
Exact Mass978.92
IUPAC Name1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane
SMILESC.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)N1CCCCC1.CCC(=O)CCC(C)(C)C
InChIInChI=1S/C11H21NO.C10H21N.C9H18N2O.C9H17NO2.C9H19N.C9H18O.CH4/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)10-7-5-4-6-8-10;1-5-8(10)6-7-9(2,3)4;/h9H,4-8H2,1-3H3,(H,12,13);4-9H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;5-7H2,1-4H3;1H4
InChIKeyYSXLZCWWEQEJSM-UHFFFAOYSA-N
XLogP12.05
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.62
LogP ≤ 512.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane with MolForge

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Related Compounds

[1-(2,2-Dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone
CID 157246400
N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2,5,5-tetramethylhexan-3-one
CID 158542238
N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 158796046
N-cyclohexyl-2-methylpropanamide;N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-methylpropanamide;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 159993778
N-[2-(diethylamino)ethyl]-2-methylpropanamide;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)piperazine;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-propylpiperazine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 160180112
[1-(2,2-Dimethylpropyl)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;[1-(2,2-dimethylpropyl)cyclohexyl]-morpholin-4-ylmethanone;[1-(2,2-dimethylpropyl)cyclohexyl]-piperazin-1-ylmethanone;methane
CID 160637069
1-(Dimethylamino)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-pyrrolidin-2-ylpropan-1-one
CID 160648734
N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one
CID 167652787

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane?
The IUPAC name of 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane (CID 162006602) is 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane.
What is the SMILES notation for 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane?
The canonical SMILES for 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane is C.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)NC1CCCCC1.CC(C)(C)CN1CCCCC1.CC(C)(C)N1CCCCC1.CCC(=O)CCC(C)(C)C.
What is the InChIKey of 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane?
The InChIKey is YSXLZCWWEQEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C10H21N.C9H18N2O.C9H17NO2.C9H19N.C9H18O.CH4/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)10-7-5-4-6-8-10;1-5-8(10)6-7-9(2,3)4;/h9H,4-8H2,1-3H3,(H,12,13);4-9H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;5-7H2,1-4H3;1H4.
What are the key properties of 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane?
1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane has a molecular weight of 979.62 g/mol, XLogP of 12.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;N-cyclohexyl-2,2-dimethylpropanamide;6,6-dimethylheptan-3-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;methane is sourced from PubChem (CID 162006602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).