2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide

C13H26N2O2 — CID 83033230

IUPAC2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-9(2)11(8-14)12(16)15-10-5-6-17-13(3,4)7-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyZHDGCNHUSGIBFP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds4

About 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide

2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide (PubChem CID 83033230) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
PubChem CID83033230
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-9(2)11(8-14)12(16)15-10-5-6-17-13(3,4)7-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyZHDGCNHUSGIBFP-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide (CID 83033230) is 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide is CC(C)C(CN)C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide?
The InChIKey is ZHDGCNHUSGIBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)11(8-14)12(16)15-10-5-6-17-13(3,4)7-10/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide?
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide is sourced from PubChem (CID 83033230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).