2-amino-2-ethyl-N-hexylbutanamide

C12H26N2O — CID 79810029

IUPAC2-amino-2-ethyl-N-hexylbutanamide
SMILESCCCCCCNC(=O)C(N)(CC)CC
InChIInChI=1S/C12H26N2O/c1-4-7-8-9-10-14-11(15)12(13,5-2)6-3/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyZVEHYXQQMMWMHW-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds8

About 2-amino-2-ethyl-N-hexylbutanamide

2-amino-2-ethyl-N-hexylbutanamide (PubChem CID 79810029) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-hexylbutanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-hexylbutanamide
PubChem CID79810029
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-2-ethyl-N-hexylbutanamide
SMILESCCCCCCNC(=O)C(N)(CC)CC
InChIInChI=1S/C12H26N2O/c1-4-7-8-9-10-14-11(15)12(13,5-2)6-3/h4-10,13H2,1-3H3,(H,14,15)
InChIKeyZVEHYXQQMMWMHW-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
CID 79815089
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
2,2,2-trichloro-N-dodecylacetamide
CID 4986291
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
N-decyl-2,2-bis(trifluoromethyl)butanamide
CID 5023706
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
CID 112547757
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-hexylbutanamide?
The IUPAC name of 2-amino-2-ethyl-N-hexylbutanamide (CID 79810029) is 2-amino-2-ethyl-N-hexylbutanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-hexylbutanamide?
The canonical SMILES for 2-amino-2-ethyl-N-hexylbutanamide is CCCCCCNC(=O)C(N)(CC)CC.
What is the InChIKey of 2-amino-2-ethyl-N-hexylbutanamide?
The InChIKey is ZVEHYXQQMMWMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-8-9-10-14-11(15)12(13,5-2)6-3/h4-10,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-ethyl-N-hexylbutanamide?
2-amino-2-ethyl-N-hexylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-hexylbutanamide is sourced from PubChem (CID 79810029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).