[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine

C10H19NO — CID 178199643

IUPAC[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine
SMILESCOC1(CN)C[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H19NO/c1-12-10(7-11)6-8-4-2-3-5-9(8)10/h8-9H,2-7,11H2,1H3/t8-,9-,10?/m1/s1
InChIKeyIXKGKIGNFOFECI-MGRQHWMJSA-N
MW169.27 g/mol
LogP1.54
Rot. Bonds2

About [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine

[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine (PubChem CID 178199643) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine.

Molecular Properties

Compound Name[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine
PubChem CID178199643
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine
SMILESCOC1(CN)C[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H19NO/c1-12-10(7-11)6-8-4-2-3-5-9(8)10/h8-9H,2-7,11H2,1H3/t8-,9-,10?/m1/s1
InChIKeyIXKGKIGNFOFECI-MGRQHWMJSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639150
[(1S,7S,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 70639186
[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 149036718
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10242263
2-[(1S,7S,8R)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10036063
7-ethylbicyclo[4.2.0]octan-7-ol
CID 90296470
methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
CID 178191667
1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 83906776
8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 19105347
2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine?
The IUPAC name of [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine (CID 178199643) is [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine.
What is the SMILES notation for [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine?
The canonical SMILES for [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine is COC1(CN)C[C@H]2CCCC[C@H]21.
What is the InChIKey of [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine?
The InChIKey is IXKGKIGNFOFECI-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-10(7-11)6-8-4-2-3-5-9(8)10/h8-9H,2-7,11H2,1H3/t8-,9-,10?/m1/s1.
What are the key properties of [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine?
[(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-7-methoxy-7-bicyclo[4.2.0]octanyl]methanamine is sourced from PubChem (CID 178199643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).