N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine

C16H23N3O — CID 135753475

IUPACN,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine
SMILESC/N=C1/NC(c2ccccc2)CC2(CCN(C)CC2)O1
InChIInChI=1S/C16H23N3O/c1-17-15-18-14(13-6-4-3-5-7-13)12-16(20-15)8-10-19(2)11-9-16/h3-7,14H,8-12H2,1-2H3,(H,17,18)
InChIKeyYBFSFRXCBXLHDQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.19
Rot. Bonds1

About N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine

N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine (PubChem CID 135753475) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine.

Molecular Properties

Compound NameN,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine
PubChem CID135753475
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine
SMILESC/N=C1/NC(c2ccccc2)CC2(CCN(C)CC2)O1
InChIInChI=1S/C16H23N3O/c1-17-15-18-14(13-6-4-3-5-7-13)12-16(20-15)8-10-19(2)11-9-16/h3-7,14H,8-12H2,1-2H3,(H,17,18)
InChIKeyYBFSFRXCBXLHDQ-UHFFFAOYSA-N
XLogP2.19
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-methyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-2-one
CID 67987626
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
3,9-dimethyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecane
CID 142826212
(4R)-N,1-dimethyl-4-phenylimidazolidin-2-imine
CID 142070445
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
1'-methyl-1-phenylspiro[1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-3,4'-piperidine]
CID 23467197
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
5-benzyl-1'-methylspiro[2,7-dioxa-5-azabicyclo[4.1.0]heptane-3,4'-piperidine]
CID 163922660
1-[(1-methylpiperidin-4-yl)methyl]-3-phenyl-1,4-diazepane
CID 64948938
3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one
CID 67987563
benzene;2,3-dihydro-1H-indene;8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 142283435
2,8-dimethyl-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 165353119

Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine?
The IUPAC name of N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine (CID 135753475) is N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine.
What is the SMILES notation for N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine?
The canonical SMILES for N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine is C/N=C1/NC(c2ccccc2)CC2(CCN(C)CC2)O1.
What is the InChIKey of N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine?
The InChIKey is YBFSFRXCBXLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-15-18-14(13-6-4-3-5-7-13)12-16(20-15)8-10-19(2)11-9-16/h3-7,14H,8-12H2,1-2H3,(H,17,18).
What are the key properties of N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine?
N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine has a molecular weight of 273.38 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-4-phenyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-imine is sourced from PubChem (CID 135753475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).