(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H24N2O2 — CID 124724919

IUPAC(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1
InChIInChI=1S/C16H24N2O2/c1-16(2)14(12-5-4-8-20-15(12)16)18-10-11-6-7-13(19-3)17-9-11/h6-7,9,12,14-15,18H,4-5,8,10H2,1-3H3/t12-,14-,15-/m1/s1
InChIKeyATHLLMKMQBCXIA-BPLDGKMQSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds4

About (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 124724919) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID124724919
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1
InChIInChI=1S/C16H24N2O2/c1-16(2)14(12-5-4-8-20-15(12)16)18-10-11-6-7-13(19-3)17-9-11/h6-7,9,12,14-15,18H,4-5,8,10H2,1-3H3/t12-,14-,15-/m1/s1
InChIKeyATHLLMKMQBCXIA-BPLDGKMQSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S,6R,7R)-N-[(6-methoxy-2-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 99851443
[4-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]phenyl]methanol
CID 107229831
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
2-[2-[[[(1S,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]amino]methyl]phenoxy]ethanol
CID 97336239
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
N-[(4-chlorophenyl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864266
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903736
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103851850
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
8,8-dimethyl-N-(2-phenylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863596
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 124724919) is (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cn1.
What is the InChIKey of (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is ATHLLMKMQBCXIA-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)14(12-5-4-8-20-15(12)16)18-10-11-6-7-13(19-3)17-9-11/h6-7,9,12,14-15,18H,4-5,8,10H2,1-3H3/t12-,14-,15-/m1/s1.
What are the key properties of (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
(1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 276.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-N-[(6-methoxy-3-pyridinyl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 124724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).