2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide

C16H34N2O — CID 20759425

IUPAC2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide
SMILESCN(C)CCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-15(2,3)12-13(16(4,5)6)14(19)17-10-9-11-18(7)8/h13H,9-12H2,1-8H3,(H,17,19)
InChIKeyZLMAGEQDFAZRKV-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.15
Rot. Bonds6

About 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide

2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide (PubChem CID 20759425) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide
PubChem CID20759425
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide
SMILESCN(C)CCCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H34N2O/c1-15(2,3)12-13(16(4,5)6)14(19)17-10-9-11-18(7)8/h13H,9-12H2,1-8H3,(H,17,19)
InChIKeyZLMAGEQDFAZRKV-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide (CID 20759425) is 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide is CN(C)CCCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide?
The InChIKey is ZLMAGEQDFAZRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2,3)12-13(16(4,5)6)14(19)17-10-9-11-18(7)8/h13H,9-12H2,1-8H3,(H,17,19).
What are the key properties of 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide?
2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide has a molecular weight of 270.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(dimethylamino)propyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 20759425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).