1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H23N3O — CID 79521132

IUPAC1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC2(CCO1)CN=C(N)N2C1CCCC1
InChIInChI=1S/C13H23N3O/c1-10-8-13(6-7-17-10)9-15-12(14)16(13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,14,15)
InChIKeyDSQCZKZBSUEBNE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds1

About 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79521132) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79521132
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC2(CCO1)CN=C(N)N2C1CCCC1
InChIInChI=1S/C13H23N3O/c1-10-8-13(6-7-17-10)9-15-12(14)16(13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,14,15)
InChIKeyDSQCZKZBSUEBNE-UHFFFAOYSA-N
XLogP1.50
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79521132) is 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CC2(CCO1)CN=C(N)N2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DSQCZKZBSUEBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-8-13(6-7-17-10)9-15-12(14)16(13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,14,15).
What are the key properties of 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79521132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).