[5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine

C10H19N3O — CID 167264952

IUPAC[5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine
SMILESNCN1CC2(CCCN2C2COC2)C1
InChIInChI=1S/C10H19N3O/c11-8-12-6-10(7-12)2-1-3-13(10)9-4-14-5-9/h9H,1-8,11H2
InChIKeyVRWQYGLWKBBACK-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.55
Rot. Bonds2

About [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine

[5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine (PubChem CID 167264952) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine
PubChem CID167264952
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine
SMILESNCN1CC2(CCCN2C2COC2)C1
InChIInChI=1S/C10H19N3O/c11-8-12-6-10(7-12)2-1-3-13(10)9-4-14-5-9/h9H,1-8,11H2
InChIKeyVRWQYGLWKBBACK-UHFFFAOYSA-N
XLogP-0.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine?
The IUPAC name of [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine (CID 167264952) is [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine.
What is the SMILES notation for [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine?
The canonical SMILES for [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine is NCN1CC2(CCCN2C2COC2)C1.
What is the InChIKey of [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine?
The InChIKey is VRWQYGLWKBBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-8-12-6-10(7-12)2-1-3-13(10)9-4-14-5-9/h9H,1-8,11H2.
What are the key properties of [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine?
[5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine has a molecular weight of 197.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxetan-3-yl)-2,5-diazaspiro[3.4]octan-2-yl]methanamine is sourced from PubChem (CID 167264952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).