N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide

C14H28N2O2 — CID 65160193

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H28N2O2/c1-6-14(7-2,8-15)16-13(17)12-9(3)10(4)18-11(12)5/h9-12H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyUDAXHYGXYDMRLE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65160193) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65160193
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H28N2O2/c1-6-14(7-2,8-15)16-13(17)12-9(3)10(4)18-11(12)5/h9-12H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyUDAXHYGXYDMRLE-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65160193) is N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide is CCC(CC)(CN)NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is UDAXHYGXYDMRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-14(7-2,8-15)16-13(17)12-9(3)10(4)18-11(12)5/h9-12H,6-8,15H2,1-5H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65160193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).