3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide

C13H26N2O2 — CID 115185797

IUPAC3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)C1(CN)COC1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-12(3,4)7-15-11(16)13(6-14)8-17-9-13/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyBWQOMMUWDXLUKV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.15
Rot. Bonds6

About 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide

3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide (PubChem CID 115185797) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide
PubChem CID115185797
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)C1(CN)COC1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-12(3,4)7-15-11(16)13(6-14)8-17-9-13/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyBWQOMMUWDXLUKV-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide (CID 115185797) is 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide is CC(C)CC(C)(C)CNC(=O)C1(CN)COC1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide?
The InChIKey is BWQOMMUWDXLUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)5-12(3,4)7-15-11(16)13(6-14)8-17-9-13/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).