6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine

C14H19N3O — CID 82720028

IUPAC6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CCOC2C
InChIInChI=1S/C14H19N3O/c1-10-5-3-4-6-12(10)17-13(15)16-9-14(17)7-8-18-11(14)2/h3-6,11H,7-9H2,1-2H3,(H2,15,16)
InChIKeyKNFPLYWTKFFKIY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds1

About 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine

6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 82720028) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID82720028
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCc1ccccc1N1C(N)=NCC12CCOC2C
InChIInChI=1S/C14H19N3O/c1-10-5-3-4-6-12(10)17-13(15)16-9-14(17)7-8-18-11(14)2/h3-6,11H,7-9H2,1-2H3,(H2,15,16)
InChIKeyKNFPLYWTKFFKIY-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

7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-(2-methylphenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505398
1'-(2-methylphenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
CID 79500627
1'-(2-methylphenyl)spiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
CID 105366344
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-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128
2-ethoxy-5-(2-methylphenyl)-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824919
1-(2-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504751
5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 104654165
5-heptyl-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
CID 79500616

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 82720028) is 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine is Cc1ccccc1N1C(N)=NCC12CCOC2C.
What is the InChIKey of 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is KNFPLYWTKFFKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-3-4-6-12(10)17-13(15)16-9-14(17)7-8-18-11(14)2/h3-6,11H,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-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 6-methyl-1-(2-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 82720028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).