3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide

C13H26N2O — CID 20806812

IUPAC3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide
SMILESC=C(C(CC(N)=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(12(2,3)4)10(8-11(14)16)15-13(5,6)7/h10,15H,1,8H2,2-7H3,(H2,14,16)
InChIKeyAAQLBIQZOHROFZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.22
Rot. Bonds4

About 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide

3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide (PubChem CID 20806812) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide
PubChem CID20806812
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide
SMILESC=C(C(CC(N)=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(12(2,3)4)10(8-11(14)16)15-13(5,6)7/h10,15H,1,8H2,2-7H3,(H2,14,16)
InChIKeyAAQLBIQZOHROFZ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide?
The IUPAC name of 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide (CID 20806812) is 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide.
What is the SMILES notation for 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide?
The canonical SMILES for 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide is C=C(C(CC(N)=O)NC(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide?
The InChIKey is AAQLBIQZOHROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(12(2,3)4)10(8-11(14)16)15-13(5,6)7/h10,15H,1,8H2,2-7H3,(H2,14,16).
What are the key properties of 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide?
3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-5,5-dimethyl-4-methylidenehexanamide is sourced from PubChem (CID 20806812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).