2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide

C10H22N2O — CID 60696251

IUPAC2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-10(2,3)6-7-11-8-9(13)12(4)5/h11H,6-8H2,1-5H3
InChIKeyHGDRKENACHSCCV-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.10
Rot. Bonds4

About 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide

2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide (PubChem CID 60696251) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide
PubChem CID60696251
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-10(2,3)6-7-11-8-9(13)12(4)5/h11H,6-8H2,1-5H3
InChIKeyHGDRKENACHSCCV-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.10
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-(3,3-dimethylbutylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide (CID 60696251) is 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide is CN(C)C(=O)CNCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide?
The InChIKey is HGDRKENACHSCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)6-7-11-8-9(13)12(4)5/h11H,6-8H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide?
2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide has a molecular weight of 186.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 60696251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).