4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

C14H19N3O — CID 59929891

IUPAC4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)ON=C(c1ccccc1)N2C
InChIInChI=1S/C14H19N3O/c1-16-10-8-14(9-11-16)17(2)13(15-18-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyDDCOQVQSNZTYCM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds1

About 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene

4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene (PubChem CID 59929891) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
PubChem CID59929891
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene
SMILESCN1CCC2(CC1)ON=C(c1ccccc1)N2C
InChIInChI=1S/C14H19N3O/c1-16-10-8-14(9-11-16)17(2)13(15-18-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyDDCOQVQSNZTYCM-UHFFFAOYSA-N
XLogP1.73
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imolamine
CID 27501
8-Methyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162669783
Piperidine, 1-(iminophenylmethyl)-
CID 361543
1-((Methylimino)phenylmethyl)piperidine monohydrochloride
CID 3049212
1-((Methylimino)(4-methylphenyl)methyl)piperidine monohydrochloride
CID 3049226
1,2,4-Oxadiazole-4(5H)-ethanamine, N,N-diethyl-5-imino-3-phenyl-, hydrochloride (1:1)
CID 23619293
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 71814995
8-[(4-Fluorophenyl)methyl]-3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134793096
8-Benzyl-3-(3-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162643096
8-Benzyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162651338
8-Benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162674490
8-Benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162677090

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene?
The IUPAC name of 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene (CID 59929891) is 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene?
The canonical SMILES for 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene is CN1CCC2(CC1)ON=C(c1ccccc1)N2C.
What is the InChIKey of 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene?
The InChIKey is DDCOQVQSNZTYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-10-8-14(9-11-16)17(2)13(15-18-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene?
4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene has a molecular weight of 245.33 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 59929891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).