2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide

C12H23N3O — CID 139379409

IUPAC2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide
SMILESCC(C)CN1CCCC12CN(CC(N)=O)C2
InChIInChI=1S/C12H23N3O/c1-10(2)6-15-5-3-4-12(15)8-14(9-12)7-11(13)16/h10H,3-9H2,1-2H3,(H2,13,16)
InChIKeyBFVBDWATQFFDDU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds4

About 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide

2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide (PubChem CID 139379409) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide
PubChem CID139379409
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide
SMILESCC(C)CN1CCCC12CN(CC(N)=O)C2
InChIInChI=1S/C12H23N3O/c1-10(2)6-15-5-3-4-12(15)8-14(9-12)7-11(13)16/h10H,3-9H2,1-2H3,(H2,13,16)
InChIKeyBFVBDWATQFFDDU-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide?
The IUPAC name of 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide (CID 139379409) is 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide.
What is the SMILES notation for 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide?
The canonical SMILES for 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide is CC(C)CN1CCCC12CN(CC(N)=O)C2.
What is the InChIKey of 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide?
The InChIKey is BFVBDWATQFFDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)6-15-5-3-4-12(15)8-14(9-12)7-11(13)16/h10H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide?
2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide has a molecular weight of 225.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-2,5-diazaspiro[3.4]octan-2-yl]acetamide is sourced from PubChem (CID 139379409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).