6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H23N3O — CID 106874965

IUPAC6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOC1CCCCC12CN=C(N)N2c1cccc(C)c1
InChIInChI=1S/C16H23N3O/c1-12-6-5-7-13(10-12)19-15(17)18-11-16(19)9-4-3-8-14(16)20-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H2,17,18)
InChIKeyZWDBXMJVPFAMHS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds2

About 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 106874965) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID106874965
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOC1CCCCC12CN=C(N)N2c1cccc(C)c1
InChIInChI=1S/C16H23N3O/c1-12-6-5-7-13(10-12)19-15(17)18-11-16(19)9-4-3-8-14(16)20-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H2,17,18)
InChIKeyZWDBXMJVPFAMHS-UHFFFAOYSA-N
XLogP2.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Ethyl-1-(4-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499536
1-(4-Fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499650
1-(4-Fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79500224
1-(2-Fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501455
7-Ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501897
1-(3-Fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502347
1-(2-Fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502540
7-Ethyl-1-(2-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502798
1-(3-Fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79503075
1-(4-Fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504767
7-Ethyl-1-(4-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505361
7-Ethyl-1-(3-fluorophenyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79513980

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 106874965) is 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is COC1CCCCC12CN=C(N)N2c1cccc(C)c1.
What is the InChIKey of 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is ZWDBXMJVPFAMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-6-5-7-13(10-12)19-15(17)18-11-16(19)9-4-3-8-14(16)20-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H2,17,18).
What are the key properties of 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(3-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 106874965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).