2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide

C11H21N3O3 — CID 83033094

IUPAC2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide
SMILESCC1(C)CC(NC(=O)C(N)CC(N)=O)CCO1
InChIInChI=1S/C11H21N3O3/c1-11(2)6-7(3-4-17-11)14-10(16)8(12)5-9(13)15/h7-8H,3-6,12H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJGUUPGMZMVVGDJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.74
Rot. Bonds4

About 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide

2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide (PubChem CID 83033094) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide
PubChem CID83033094
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide
SMILESCC1(C)CC(NC(=O)C(N)CC(N)=O)CCO1
InChIInChI=1S/C11H21N3O3/c1-11(2)6-7(3-4-17-11)14-10(16)8(12)5-9(13)15/h7-8H,3-6,12H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJGUUPGMZMVVGDJ-UHFFFAOYSA-N
XLogP-0.74
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide?
The IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide (CID 83033094) is 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide is CC1(C)CC(NC(=O)C(N)CC(N)=O)CCO1.
What is the InChIKey of 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide?
The InChIKey is JGUUPGMZMVVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2)6-7(3-4-17-11)14-10(16)8(12)5-9(13)15/h7-8H,3-6,12H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide?
2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide has a molecular weight of 243.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyloxan-4-yl)butanediamide is sourced from PubChem (CID 83033094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).