ethane;3-[(1-methylcyclopropyl)methyl]morpholine

C11H23NO — CID 144581740

IUPACethane;3-[(1-methylcyclopropyl)methyl]morpholine
SMILESCC.CC1(CC2COCCN2)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-9(2-3-9)6-8-7-11-5-4-10-8;1-2/h8,10H,2-7H2,1H3;1-2H3
InChIKeyZTKVSLCVFNNDFF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds2

About ethane;3-[(1-methylcyclopropyl)methyl]morpholine

ethane;3-[(1-methylcyclopropyl)methyl]morpholine (PubChem CID 144581740) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;3-[(1-methylcyclopropyl)methyl]morpholine.

Molecular Properties

Compound Nameethane;3-[(1-methylcyclopropyl)methyl]morpholine
PubChem CID144581740
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;3-[(1-methylcyclopropyl)methyl]morpholine
SMILESCC.CC1(CC2COCCN2)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-9(2-3-9)6-8-7-11-5-4-10-8;1-2/h8,10H,2-7H2,1H3;1-2H3
InChIKeyZTKVSLCVFNNDFF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclopropylmethyl)morpholine
CID 71607314
2-(Ethoxymethyl)-3-(trifluoromethyl)piperidine
CID 106780325
2-(Ethoxymethyl)-4-(trifluoromethyl)piperidine
CID 106780344
2-(Propoxymethyl)-3-(trifluoromethyl)piperidine
CID 106780362
2-(Propoxymethyl)-4-(trifluoromethyl)piperidine
CID 106780382
3-(2-Fluoro-2-methylbutyl)morpholine
CID 116011160
3-(2-Fluoro-2-methylhexyl)morpholine
CID 116011204
3-(2-Fluoro-2-methylpentyl)morpholine
CID 116011293
3-(2-Fluoro-2,3-dimethylbutyl)morpholine
CID 116011294
3-(2-Cyclopropyl-2-fluoropropyl)morpholine
CID 116011307
3-(2-Fluoro-2,5,5-trimethylhexyl)morpholine
CID 116011308
3-(2-Fluoro-2,3,3-trimethylbutyl)morpholine
CID 116011331

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(1-methylcyclopropyl)methyl]morpholine?
The IUPAC name of ethane;3-[(1-methylcyclopropyl)methyl]morpholine (CID 144581740) is ethane;3-[(1-methylcyclopropyl)methyl]morpholine.
What is the SMILES notation for ethane;3-[(1-methylcyclopropyl)methyl]morpholine?
The canonical SMILES for ethane;3-[(1-methylcyclopropyl)methyl]morpholine is CC.CC1(CC2COCCN2)CC1.
What is the InChIKey of ethane;3-[(1-methylcyclopropyl)methyl]morpholine?
The InChIKey is ZTKVSLCVFNNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-9(2-3-9)6-8-7-11-5-4-10-8;1-2/h8,10H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;3-[(1-methylcyclopropyl)methyl]morpholine?
ethane;3-[(1-methylcyclopropyl)methyl]morpholine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(1-methylcyclopropyl)methyl]morpholine is sourced from PubChem (CID 144581740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).