1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine

C9H20N2O — CID 116959550

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1(CN)COC1
InChIInChI=1S/C9H20N2O/c1-7(2)8(11-3)9(4-10)5-12-6-9/h7-8,11H,4-6,10H2,1-3H3
InChIKeyJXSIXYXYLRAZDP-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.21
Rot. Bonds4

About 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine

1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine (PubChem CID 116959550) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
PubChem CID116959550
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1(CN)COC1
InChIInChI=1S/C9H20N2O/c1-7(2)8(11-3)9(4-10)5-12-6-9/h7-8,11H,4-6,10H2,1-3H3
InChIKeyJXSIXYXYLRAZDP-UHFFFAOYSA-N
XLogP0.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine (CID 116959550) is 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine is CNC(C(C)C)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is JXSIXYXYLRAZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)8(11-3)9(4-10)5-12-6-9/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine?
1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 116959550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).