1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H19N3O — CID 79505398

IUPAC1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CCOCC2
InChIInChI=1S/C14H19N3O/c1-11-4-2-3-5-12(11)17-13(15)16-10-14(17)6-8-18-9-7-14/h2-5H,6-10H2,1H3,(H2,15,16)
InChIKeyWBNFQGGIWKLZIX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds1

About 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505398) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505398
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CCOCC2
InChIInChI=1S/C14H19N3O/c1-11-4-2-3-5-12(11)17-13(15)16-10-14(17)6-8-18-9-7-14/h2-5H,6-10H2,1H3,(H2,15,16)
InChIKeyWBNFQGGIWKLZIX-UHFFFAOYSA-N
XLogP1.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521112
1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514648
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 82720028
2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824919
7,7-dimethyl-1-(2-methylphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79947415
1-(4-methylphenyl)-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79505471
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
5-cyclopropyl-5-ethyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79505259
1-(2-methylphenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79505397
1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521544
1-(2-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505398) is 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is Cc1ccccc1N1C(N)=NCC12CCOCC2.
What is the InChIKey of 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is WBNFQGGIWKLZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-2-3-5-12(11)17-13(15)16-10-14(17)6-8-18-9-7-14/h2-5H,6-10H2,1H3,(H2,15,16).
What are the key properties of 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).