[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine

C15H28N2O — CID 112740237

IUPAC[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
SMILESCC1CN(C2(CN)CCCC3CC32)CC(C)(C)O1
InChIInChI=1S/C15H28N2O/c1-11-8-17(10-14(2,3)18-11)15(9-16)6-4-5-12-7-13(12)15/h11-13H,4-10,16H2,1-3H3
InChIKeyLOTAEJBHBVTZPU-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.00
Rot. Bonds2

About [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine

[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine (PubChem CID 112740237) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
PubChem CID112740237
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
SMILESCC1CN(C2(CN)CCCC3CC32)CC(C)(C)O1
InChIInChI=1S/C15H28N2O/c1-11-8-17(10-14(2,3)18-11)15(9-16)6-4-5-12-7-13(12)15/h11-13H,4-10,16H2,1-3H3
InChIKeyLOTAEJBHBVTZPU-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)oxolan-3-yl]methanamine
CID 82719280
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
CID 105365112
[3-propan-2-yl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 107449061
[3,4-dimethyl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 64745449
[1-cyclopropyl-3-(2,2,6-trimethylmorpholin-4-yl)pyrrolidin-3-yl]methanamine
CID 55142181
[3,3,5,5-tetramethyl-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 115999082
[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
CID 112740240
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
CID 79958109
[2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexyl]methanamine
CID 106872792
[1-(2,2-dimethylmorpholin-4-yl)-2-methylcyclohexyl]methanamine
CID 43592649
[2,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761757
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
CID 104958066

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
The IUPAC name of [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine (CID 112740237) is [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine.
What is the SMILES notation for [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
The canonical SMILES for [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine is CC1CN(C2(CN)CCCC3CC32)CC(C)(C)O1.
What is the InChIKey of [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
The InChIKey is LOTAEJBHBVTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-8-17(10-14(2,3)18-11)15(9-16)6-4-5-12-7-13(12)15/h11-13H,4-10,16H2,1-3H3.
What are the key properties of [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine?
[2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,6-trimethylmorpholin-4-yl)-2-bicyclo[4.1.0]heptanyl]methanamine is sourced from PubChem (CID 112740237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).