(8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane

C14H26N2O — CID 122651493

IUPAC(8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
SMILESCOC[C@@H]1C[C@@H]2CN(CC3CC3)CCCCN12
InChIInChI=1S/C14H26N2O/c1-17-11-14-8-13-10-15(9-12-4-5-12)6-2-3-7-16(13)14/h12-14H,2-11H2,1H3/t13-,14+/m1/s1
InChIKeyINSFSILSBORZEN-KGLIPLIRSA-N
MW238.37 g/mol
LogP1.58
Rot. Bonds4

About (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane

(8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane (PubChem CID 122651493) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane.

Molecular Properties

Compound Name(8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
PubChem CID122651493
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
SMILESCOC[C@@H]1C[C@@H]2CN(CC3CC3)CCCCN12
InChIInChI=1S/C14H26N2O/c1-17-11-14-8-13-10-15(9-12-4-5-12)6-2-3-7-16(13)14/h12-14H,2-11H2,1H3/t13-,14+/m1/s1
InChIKeyINSFSILSBORZEN-KGLIPLIRSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
CID 122651279
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 121201487
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
2-[(4-ethylcyclohexyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939394
2-(cyclobutylmethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925982
N-[4-[[(8R,10S)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]sulfonyl]butyl]acetamide
CID 122651412
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
2-[(4-ethylcyclohexyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930234
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411

Frequently Asked Questions

What is the IUPAC name of (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
The IUPAC name of (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane (CID 122651493) is (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane.
What is the SMILES notation for (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
The canonical SMILES for (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane is COC[C@@H]1C[C@@H]2CN(CC3CC3)CCCCN12.
What is the InChIKey of (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
The InChIKey is INSFSILSBORZEN-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H26N2O/c1-17-11-14-8-13-10-15(9-12-4-5-12)6-2-3-7-16(13)14/h12-14H,2-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
(8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane has a molecular weight of 238.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10S)-6-(cyclopropylmethyl)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane is sourced from PubChem (CID 122651493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).