8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine

C17H32N2O2 — CID 75516169

IUPAC8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CNC1C2CCCOC2C1(C)C)N1CCOCC1C
InChIInChI=1S/C17H32N2O2/c1-12(19-7-9-20-11-13(19)2)10-18-15-14-6-5-8-21-16(14)17(15,3)4/h12-16,18H,5-11H2,1-4H3
InChIKeyOCUWOJHJGIJUTM-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.89
Rot. Bonds4

About 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 75516169) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID75516169
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(CNC1C2CCCOC2C1(C)C)N1CCOCC1C
InChIInChI=1S/C17H32N2O2/c1-12(19-7-9-20-11-13(19)2)10-18-15-14-6-5-8-21-16(14)17(15,3)4/h12-16,18H,5-11H2,1-4H3
InChIKeyOCUWOJHJGIJUTM-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboxamide
CID 71869653
2-[2,2-Dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2-methylpropyl)morpholine
CID 139313671
2-[2,2-Dimethyl-3-(4-methylmorpholin-3-yl)propyl]-6-(2,2-dimethylpropyl)morpholine
CID 156519265
(5S)-3-[2,2-dimethyl-3-[(2R)-morpholin-2-yl]propyl]-5-(2,2-dimethylpropyl)morpholine
CID 169634416
4-(3,3-Dimethylbutoxy)-1-[[2-[4-[1-(3,3-dimethylbutyl)azetidin-3-yl]oxy-2,2-dimethylbutyl]piperidin-4-yl]methyl]piperidine
CID 169685525
4-Tert-butyl-2-[5-(3-tert-butylpiperazin-1-yl)-2,5-dimethylhexan-2-yl]morpholine
CID 174115929
N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-yloxan-4-amine
CID 64098958
2-ethyl-N-(4-methyl-2-morpholin-4-ylpentyl)oxan-4-amine
CID 64100574
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64862627
1-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 64862639
8,8-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862654
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-4-amine
CID 64862660

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 75516169) is 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC(CNC1C2CCCOC2C1(C)C)N1CCOCC1C.
What is the InChIKey of 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is OCUWOJHJGIJUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(19-7-9-20-11-13(19)2)10-18-15-14-6-5-8-21-16(14)17(15,3)4/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 296.46 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 75516169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).