N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide

C10H20N2O2 — CID 65152514

IUPACN-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCN)C1C
InChIInChI=1S/C10H20N2O2/c1-6-7(2)14-8(3)9(6)10(13)12-5-4-11/h6-9H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyZHBPJJUCIOXKCD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds3

About N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65152514) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65152514
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCN)C1C
InChIInChI=1S/C10H20N2O2/c1-6-7(2)14-8(3)9(6)10(13)12-5-4-11/h6-9H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyZHBPJJUCIOXKCD-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65152514) is N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCN)C1C.
What is the InChIKey of N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is ZHBPJJUCIOXKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-7(2)14-8(3)9(6)10(13)12-5-4-11/h6-9H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65152514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).