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

C16H23N3O — CID 79515050

IUPAC7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1(C)CC2(CCO1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-15(2)11-16(9-10-20-15)12-18-14(17)19(16)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,17,18)
InChIKeyRNQOCCGWFVVFKU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds2

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

7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79515050) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79515050
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1(C)CC2(CCO1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-15(2)11-16(9-10-20-15)12-18-14(17)19(16)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,17,18)
InChIKeyRNQOCCGWFVVFKU-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502298
7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497807
1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79513978
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79514380
8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79514529
1-(2-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521544
8-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515126
8,8-dimethyl-1-(4-methylphenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 80699619
9,9-dimethyl-1-phenyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79862496
5-methyl-1-phenyl-5-(2-phenylethyl)-4H-imidazol-2-amine
CID 79502720
1,5-diphenyl-5-propyl-4H-imidazol-2-amine
CID 79503025
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79515050) is 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1(C)CC2(CCO1)CN=C(N)N2c1ccccc1.
What is the InChIKey of 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RNQOCCGWFVVFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-15(2)11-16(9-10-20-15)12-18-14(17)19(16)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,17,18).
What are the key properties of 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-methyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).