(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide

C16H34N2O3 — CID 91398430

IUPAC(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)OCN(C)C.CCC(C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2.C7H15NO/c1-6-9(2,3)8(11)12-7-10(4)5;1-5-6(2)7(9)8(3)4/h6-7H2,1-5H3;6H,5H2,1-4H3
InChIKeySRTPBOBAMHQMCA-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.61
Rot. Bonds6

About (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide

(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide (PubChem CID 91398430) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide.

Molecular Properties

Compound Name(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide
PubChem CID91398430
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)OCN(C)C.CCC(C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2.C7H15NO/c1-6-9(2,3)8(11)12-7-10(4)5;1-5-6(2)7(9)8(3)4/h6-7H2,1-5H3;6H,5H2,1-4H3
InChIKeySRTPBOBAMHQMCA-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide?
The IUPAC name of (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide (CID 91398430) is (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide.
What is the SMILES notation for (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide?
The canonical SMILES for (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide is CCC(C)(C)C(=O)OCN(C)C.CCC(C)C(=O)N(C)C.
What is the InChIKey of (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide?
The InChIKey is SRTPBOBAMHQMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C7H15NO/c1-6-9(2,3)8(11)12-7-10(4)5;1-5-6(2)7(9)8(3)4/h6-7H2,1-5H3;6H,5H2,1-4H3.
What are the key properties of (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide?
(dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide has a molecular weight of 302.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl 2,2-dimethylbutanoate;N,N,2-trimethylbutanamide is sourced from PubChem (CID 91398430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).