N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

C13H26N2O2 — CID 65152026

IUPACN-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCN)C(C)C)C1C
InChIInChI=1S/C13H26N2O2/c1-8(2)15(7-6-14)13(16)12-9(3)10(4)17-11(12)5/h8-12H,6-7,14H2,1-5H3
InChIKeyYSHFZOZUADWONU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds4

About N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 65152026) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID65152026
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCN)C(C)C)C1C
InChIInChI=1S/C13H26N2O2/c1-8(2)15(7-6-14)13(16)12-9(3)10(4)17-11(12)5/h8-12H,6-7,14H2,1-5H3
InChIKeyYSHFZOZUADWONU-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (CID 65152026) is N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCN)C(C)C)C1C.
What is the InChIKey of N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is YSHFZOZUADWONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-8(2)15(7-6-14)13(16)12-9(3)10(4)17-11(12)5/h8-12H,6-7,14H2,1-5H3.
What are the key properties of N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 65152026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).