N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide

C58H124N6O6 — CID 160586570

IUPACN-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide
SMILESC.CCC(C)(C)C(=O)NC.CCCCCCNC(=O)C(C)(C)CC.CCCCCNC(=O)C(C)(C)CC.CCCCNC(=O)C(C)(C)CC.CCCNC(=O)C(C)(C)CC.CCNC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO.C11H23NO.C10H21NO.C9H19NO.C8H17NO.C7H15NO.CH4/c1-5-7-8-9-10-13-11(14)12(3,4)6-2;1-5-7-8-9-12-10(13)11(3,4)6-2;1-5-7-8-11-9(12)10(3,4)6-2;1-5-7-10-8(11)9(3,4)6-2;1-5-8(3,4)7(10)9-6-2;1-5-7(2,3)6(9)8-4;/h5-10H2,1-4H3,(H,13,14);5-9H2,1-4H3,(H,12,13);5-8H2,1-4H3,(H,11,12);5-7H2,1-4H3,(H,10,11);5-6H2,1-4H3,(H,9,10);5H2,1-4H3,(H,8,9);1H4
InChIKeyRCLVIPFBEWJMIT-UHFFFAOYSA-N
MW1001.67 g/mol
LogP13.50
Rot. Bonds27

About N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide

N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide (PubChem CID 160586570) has the molecular formula C58H124N6O6 and a molecular weight of 1001.67 g/mol. Its IUPAC name is N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide
PubChem CID160586570
Molecular FormulaC58H124N6O6
Molecular Weight1001.67 g/mol
Exact Mass1000.96
IUPAC NameN-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide
SMILESC.CCC(C)(C)C(=O)NC.CCCCCCNC(=O)C(C)(C)CC.CCCCCNC(=O)C(C)(C)CC.CCCCNC(=O)C(C)(C)CC.CCCNC(=O)C(C)(C)CC.CCNC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO.C11H23NO.C10H21NO.C9H19NO.C8H17NO.C7H15NO.CH4/c1-5-7-8-9-10-13-11(14)12(3,4)6-2;1-5-7-8-9-12-10(13)11(3,4)6-2;1-5-7-8-11-9(12)10(3,4)6-2;1-5-7-10-8(11)9(3,4)6-2;1-5-8(3,4)7(10)9-6-2;1-5-7(2,3)6(9)8-4;/h5-10H2,1-4H3,(H,13,14);5-9H2,1-4H3,(H,12,13);5-8H2,1-4H3,(H,11,12);5-7H2,1-4H3,(H,10,11);5-6H2,1-4H3,(H,9,10);5H2,1-4H3,(H,8,9);1H4
InChIKeyRCLVIPFBEWJMIT-UHFFFAOYSA-N
XLogP13.50
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.67
LogP ≤ 513.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide with MolForge

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Related Compounds

3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
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CID 178052018
N-(6-iodohexyl)-2,2-dimethylbutanamide
CID 107848483
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
N-ethyl-2,2-dimethylheptanamide
CID 168939290
N,2,2-trimethyloctadecanamide
CID 158817445
N-(4-aminobutyl)-2,2-dimethylbutanamide
CID 62677618
1-propyl-3-tridecylurea
CID 10934987
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide?
The IUPAC name of N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide (CID 160586570) is N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide.
What is the SMILES notation for N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide?
The canonical SMILES for N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide is C.CCC(C)(C)C(=O)NC.CCCCCCNC(=O)C(C)(C)CC.CCCCCNC(=O)C(C)(C)CC.CCCCNC(=O)C(C)(C)CC.CCCNC(=O)C(C)(C)CC.CCNC(=O)C(C)(C)CC.
What is the InChIKey of N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide?
The InChIKey is RCLVIPFBEWJMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C11H23NO.C10H21NO.C9H19NO.C8H17NO.C7H15NO.CH4/c1-5-7-8-9-10-13-11(14)12(3,4)6-2;1-5-7-8-9-12-10(13)11(3,4)6-2;1-5-7-8-11-9(12)10(3,4)6-2;1-5-7-10-8(11)9(3,4)6-2;1-5-8(3,4)7(10)9-6-2;1-5-7(2,3)6(9)8-4;/h5-10H2,1-4H3,(H,13,14);5-9H2,1-4H3,(H,12,13);5-8H2,1-4H3,(H,11,12);5-7H2,1-4H3,(H,10,11);5-6H2,1-4H3,(H,9,10);5H2,1-4H3,(H,8,9);1H4.
What are the key properties of N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide?
N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide has a molecular weight of 1001.67 g/mol, XLogP of 13.50, 27 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethylbutanamide;2,2-dimethyl-N-pentylbutanamide;2,2-dimethyl-N-propylbutanamide;N-ethyl-2,2-dimethylbutanamide;N-hexyl-2,2-dimethylbutanamide;methane;N,2,2-trimethylbutanamide is sourced from PubChem (CID 160586570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).