1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H23N3O — CID 79505489

IUPAC1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCCC2)N1CC1CCCO1
InChIInChI=1S/C13H23N3O/c14-12-15-10-13(6-2-1-3-7-13)16(12)9-11-5-4-8-17-11/h11H,1-10H2,(H2,14,15)
InChIKeyQQCKUAVEINMDQF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505489) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505489
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCCC2)N1CC1CCCO1
InChIInChI=1S/C13H23N3O/c14-12-15-10-13(6-2-1-3-7-13)16(12)9-11-5-4-8-17-11/h11H,1-10H2,(H2,14,15)
InChIKeyQQCKUAVEINMDQF-UHFFFAOYSA-N
XLogP1.50
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505489) is 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCCC2)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is QQCKUAVEINMDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-12-15-10-13(6-2-1-3-7-13)16(12)9-11-5-4-8-17-11/h11H,1-10H2,(H2,14,15).
What are the key properties of 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).