2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide

C10H20N2O3 — CID 173122588

IUPAC2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)C(N)C(C)(C)C)C1OCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)7(11)8(13)12(4)9-14-5-6-15-9/h7,9H,5-6,11H2,1-4H3
InChIKeyWPMDMHIEWDTMQO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.15
Rot. Bonds2

About 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide

2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide (PubChem CID 173122588) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
PubChem CID173122588
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)C(N)C(C)(C)C)C1OCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)7(11)8(13)12(4)9-14-5-6-15-9/h7,9H,5-6,11H2,1-4H3
InChIKeyWPMDMHIEWDTMQO-UHFFFAOYSA-N
XLogP0.15
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide (CID 173122588) is 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide is CN(C(=O)C(N)C(C)(C)C)C1OCCO1.
What is the InChIKey of 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide?
The InChIKey is WPMDMHIEWDTMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)7(11)8(13)12(4)9-14-5-6-15-9/h7,9H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide?
2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide has a molecular weight of 216.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 173122588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).