3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide

C12H24N2O2 — CID 115185796

IUPAC3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide
SMILESCCCC(C)(C)CNC(=O)C1(CN)COC1
InChIInChI=1S/C12H24N2O2/c1-4-5-11(2,3)7-14-10(15)12(6-13)8-16-9-12/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyFSGKPPXATJSPGB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds6

About 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide

3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide (PubChem CID 115185796) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide
PubChem CID115185796
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide
SMILESCCCC(C)(C)CNC(=O)C1(CN)COC1
InChIInChI=1S/C12H24N2O2/c1-4-5-11(2,3)7-14-10(15)12(6-13)8-16-9-12/h4-9,13H2,1-3H3,(H,14,15)
InChIKeyFSGKPPXATJSPGB-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
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-dimethylpentyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide (CID 115185796) is 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide is CCCC(C)(C)CNC(=O)C1(CN)COC1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide?
The InChIKey is FSGKPPXATJSPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-11(2,3)7-14-10(15)12(6-13)8-16-9-12/h4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 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-dimethylpentyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).