1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine

C17H28N2O — CID 69223517

IUPAC1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine
SMILESCOc1cncc([C@H]2CCCCCC[C@H]2CN(C)C)c1
InChIInChI=1S/C17H28N2O/c1-19(2)13-14-8-6-4-5-7-9-17(14)15-10-16(20-3)12-18-11-15/h10-12,14,17H,4-9,13H2,1-3H3/t14-,17-/m0/s1
InChIKeyWBNNPTCDPOMLGQ-YOEHRIQHSA-N
MW276.42 g/mol
LogP3.71
Rot. Bonds4

About 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine

1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine (PubChem CID 69223517) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine
PubChem CID69223517
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine
SMILESCOc1cncc([C@H]2CCCCCC[C@H]2CN(C)C)c1
InChIInChI=1S/C17H28N2O/c1-19(2)13-14-8-6-4-5-7-9-17(14)15-10-16(20-3)12-18-11-15/h10-12,14,17H,4-9,13H2,1-3H3/t14-,17-/m0/s1
InChIKeyWBNNPTCDPOMLGQ-YOEHRIQHSA-N
XLogP3.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
CID 142251041
3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine
CID 90426351
3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
CID 90426536
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
3-[(2S)-aziridin-2-yl]-5-methoxypyridine
CID 55263273
(E)-4-[3-[2-[(dimethylamino)methyl]cyclohexyl]phenoxy]-4-oxobut-2-enoic acid
CID 67132875
N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]cyclopropanamine
CID 115375676
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine (CID 69223517) is 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine is COc1cncc([C@H]2CCCCCC[C@H]2CN(C)C)c1.
What is the InChIKey of 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine?
The InChIKey is WBNNPTCDPOMLGQ-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)13-14-8-6-4-5-7-9-17(14)15-10-16(20-3)12-18-11-15/h10-12,14,17H,4-9,13H2,1-3H3/t14-,17-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine?
1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 69223517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).