N-hexyl-2,2-dimethylbutanamide

C12H25NO — CID 4627634

IUPACN-hexyl-2,2-dimethylbutanamide
SMILESCCCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO/c1-5-7-8-9-10-13-11(14)12(3,4)6-2/h5-10H2,1-4H3,(H,13,14)
InChIKeyDUMNXIAITFAQDK-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds7

About N-hexyl-2,2-dimethylbutanamide

N-hexyl-2,2-dimethylbutanamide (PubChem CID 4627634) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-hexyl-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-hexyl-2,2-dimethylbutanamide
PubChem CID4627634
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-hexyl-2,2-dimethylbutanamide
SMILESCCCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO/c1-5-7-8-9-10-13-11(14)12(3,4)6-2/h5-10H2,1-4H3,(H,13,14)
InChIKeyDUMNXIAITFAQDK-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,2-dimethylbutanamide?
The IUPAC name of N-hexyl-2,2-dimethylbutanamide (CID 4627634) is N-hexyl-2,2-dimethylbutanamide.
What is the SMILES notation for N-hexyl-2,2-dimethylbutanamide?
The canonical SMILES for N-hexyl-2,2-dimethylbutanamide is CCCCCCNC(=O)C(C)(C)CC.
What is the InChIKey of N-hexyl-2,2-dimethylbutanamide?
The InChIKey is DUMNXIAITFAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-8-9-10-13-11(14)12(3,4)6-2/h5-10H2,1-4H3,(H,13,14).
What are the key properties of N-hexyl-2,2-dimethylbutanamide?
N-hexyl-2,2-dimethylbutanamide has a molecular weight of 199.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,2-dimethylbutanamide is sourced from PubChem (CID 4627634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).