2,2-dimethyl-3-pentylbutanediamide

C11H22N2O2 — CID 141095306

IUPAC2,2-dimethyl-3-pentylbutanediamide
SMILESCCCCCC(C(N)=O)C(C)(C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-4-5-6-7-8(9(12)14)11(2,3)10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)(H2,13,15)
InChIKeyNQTIRWDRUWRFLR-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.18
Rot. Bonds7

About 2,2-dimethyl-3-pentylbutanediamide

2,2-dimethyl-3-pentylbutanediamide (PubChem CID 141095306) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-pentylbutanediamide.

Molecular Properties

Compound Name2,2-dimethyl-3-pentylbutanediamide
PubChem CID141095306
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,2-dimethyl-3-pentylbutanediamide
SMILESCCCCCC(C(N)=O)C(C)(C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-4-5-6-7-8(9(12)14)11(2,3)10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)(H2,13,15)
InChIKeyNQTIRWDRUWRFLR-UHFFFAOYSA-N
XLogP1.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.18
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

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2-dodecylnonadecanamide
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3-hydroxy-2,2-dimethylheptanamide
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2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
2,9-dibutyldecanediamide
CID 141080467
azane;2-ethyldodecanamide
CID 174462460
2-hydroxyoctadecanamide
CID 14598043
2-methylheptanamide;2-methylhexanamide
CID 160718848

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-pentylbutanediamide?
The IUPAC name of 2,2-dimethyl-3-pentylbutanediamide (CID 141095306) is 2,2-dimethyl-3-pentylbutanediamide.
What is the SMILES notation for 2,2-dimethyl-3-pentylbutanediamide?
The canonical SMILES for 2,2-dimethyl-3-pentylbutanediamide is CCCCCC(C(N)=O)C(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-pentylbutanediamide?
The InChIKey is NQTIRWDRUWRFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-6-7-8(9(12)14)11(2,3)10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)(H2,13,15).
What are the key properties of 2,2-dimethyl-3-pentylbutanediamide?
2,2-dimethyl-3-pentylbutanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-pentylbutanediamide is sourced from PubChem (CID 141095306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).