2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine

C130H271N13 — CID 161087233

IUPAC2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine
SMILESCC(C)(C)C(C)(C)N.CC(C)(C)C1(C)CCCN1.CN(C)C(C)(C)C(C)(C)C.CN(C)C1(C(C)(C)C)CCCC1.CN1C2CCC1(C(C)(C)C)CC2.CN1C2CCCC1(C(C)(C)C)CCC2.CN1CC2CC1(C(C)(C)C)C2.CN1CCC1(C)C(C)(C)C.CN1CCC2CC1(C(C)(C)C)C2.CN1CCCC1(C)C(C)(C)C.CN1CCCCC1(C)C(C)(C)C.CN1CCCCC1C(C)(C)C.CNC(C(C)C)C(C)(C)C
InChIInChI=1S/C13H25N.2C11H21N.2C11H23N.C10H19N.2C10H21N.2C9H19N.2C9H21N.C7H17N/c1-12(2,3)13-9-5-7-11(14(13)4)8-6-10-13;1-10(2,3)11-7-5-9(6-8-11)12(11)4;1-10(2,3)11-7-9(8-11)5-6-12(11)4;1-10(2,3)11(12(4)5)8-6-7-9-11;1-10(2,3)11(4)8-6-7-9-12(11)5;1-9(2,3)10-5-8(6-10)7-11(10)4;1-9(2,3)10(4)7-6-8-11(10)5;1-10(2,3)9-7-5-6-8-11(9)4;1-8(2,3)9(4)6-7-10(9)5;1-8(2,3)9(4)6-5-7-10-9;1-8(2,3)9(4,5)10(6)7;1-7(2)8(10-6)9(3,4)5;1-6(2,3)7(4,5)8/h11H,5-10H2,1-4H3;2*9H,5-8H2,1-4H3;2*6-9H2,1-5H3;8H,5-7H2,1-4H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;6-7H2,1-5H3;10H,5-7H2,1-4H3;1-7H3;7-8,10H,1-6H3;8H2,1-5H3
InChIKeyUGRNAIIQFPYFGH-UHFFFAOYSA-N
MW2016.69 g/mol
LogP32.31
Rot. Bonds4

About 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine

2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine (PubChem CID 161087233) has the molecular formula C130H271N13 and a molecular weight of 2016.69 g/mol. Its IUPAC name is 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine
PubChem CID161087233
Molecular FormulaC130H271N13
Molecular Weight2016.69 g/mol
Exact Mass2015.16
IUPAC Name2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine
SMILESCC(C)(C)C(C)(C)N.CC(C)(C)C1(C)CCCN1.CN(C)C(C)(C)C(C)(C)C.CN(C)C1(C(C)(C)C)CCCC1.CN1C2CCC1(C(C)(C)C)CC2.CN1C2CCCC1(C(C)(C)C)CCC2.CN1CC2CC1(C(C)(C)C)C2.CN1CCC1(C)C(C)(C)C.CN1CCC2CC1(C(C)(C)C)C2.CN1CCCC1(C)C(C)(C)C.CN1CCCCC1(C)C(C)(C)C.CN1CCCCC1C(C)(C)C.CNC(C(C)C)C(C)(C)C
InChIInChI=1S/C13H25N.2C11H21N.2C11H23N.C10H19N.2C10H21N.2C9H19N.2C9H21N.C7H17N/c1-12(2,3)13-9-5-7-11(14(13)4)8-6-10-13;1-10(2,3)11-7-5-9(6-8-11)12(11)4;1-10(2,3)11-7-9(8-11)5-6-12(11)4;1-10(2,3)11(12(4)5)8-6-7-9-11;1-10(2,3)11(4)8-6-7-9-12(11)5;1-9(2,3)10-5-8(6-10)7-11(10)4;1-9(2,3)10(4)7-6-8-11(10)5;1-10(2,3)9-7-5-6-8-11(9)4;1-8(2,3)9(4)6-7-10(9)5;1-8(2,3)9(4)6-5-7-10-9;1-8(2,3)9(4,5)10(6)7;1-7(2)8(10-6)9(3,4)5;1-6(2,3)7(4,5)8/h11H,5-10H2,1-4H3;2*9H,5-8H2,1-4H3;2*6-9H2,1-5H3;8H,5-7H2,1-4H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;6-7H2,1-5H3;10H,5-7H2,1-4H3;1-7H3;7-8,10H,1-6H3;8H2,1-5H3
InChIKeyUGRNAIIQFPYFGH-UHFFFAOYSA-N
XLogP32.31
TPSA82.48 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.69
LogP ≤ 532.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine?
The IUPAC name of 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine (CID 161087233) is 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine?
The canonical SMILES for 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine is CC(C)(C)C(C)(C)N.CC(C)(C)C1(C)CCCN1.CN(C)C(C)(C)C(C)(C)C.CN(C)C1(C(C)(C)C)CCCC1.CN1C2CCC1(C(C)(C)C)CC2.CN1C2CCCC1(C(C)(C)C)CCC2.CN1CC2CC1(C(C)(C)C)C2.CN1CCC1(C)C(C)(C)C.CN1CCC2CC1(C(C)(C)C)C2.CN1CCCC1(C)C(C)(C)C.CN1CCCCC1(C)C(C)(C)C.CN1CCCCC1C(C)(C)C.CNC(C(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine?
The InChIKey is UGRNAIIQFPYFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.2C11H21N.2C11H23N.C10H19N.2C10H21N.2C9H19N.2C9H21N.C7H17N/c1-12(2,3)13-9-5-7-11(14(13)4)8-6-10-13;1-10(2,3)11-7-5-9(6-8-11)12(11)4;1-10(2,3)11-7-9(8-11)5-6-12(11)4;1-10(2,3)11(12(4)5)8-6-7-9-11;1-10(2,3)11(4)8-6-7-9-12(11)5;1-9(2,3)10-5-8(6-10)7-11(10)4;1-9(2,3)10(4)7-6-8-11(10)5;1-10(2,3)9-7-5-6-8-11(9)4;1-8(2,3)9(4)6-7-10(9)5;1-8(2,3)9(4)6-5-7-10-9;1-8(2,3)9(4,5)10(6)7;1-7(2)8(10-6)9(3,4)5;1-6(2,3)7(4,5)8/h11H,5-10H2,1-4H3;2*9H,5-8H2,1-4H3;2*6-9H2,1-5H3;8H,5-7H2,1-4H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;6-7H2,1-5H3;10H,5-7H2,1-4H3;1-7H3;7-8,10H,1-6H3;8H2,1-5H3.
What are the key properties of 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine?
2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine has a molecular weight of 2016.69 g/mol, XLogP of 32.31, 4 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2-dimethylazetidine;1-tert-butyl-N,N-dimethylcyclopentan-1-amine;2-tert-butyl-1,2-dimethylpiperidine;2-tert-butyl-1,2-dimethylpyrrolidine;1-tert-butyl-2-methyl-2-azabicyclo[3.1.1]heptane;1-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-2-methyl-2-azabicyclo[2.1.1]hexane;1-tert-butyl-9-methyl-9-azabicyclo[3.3.1]nonane;2-tert-butyl-1-methylpiperidine;2-tert-butyl-2-methylpyrrolidine;N,N,2,3,3-pentamethylbutan-2-amine;N,2,2,4-tetramethylpentan-3-amine;2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 161087233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).