N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H25N3O — CID 106660570

IUPACN-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1cnc(C)cc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H25N3O/c1-11-7-15(16(20-3)10-17-11)18-12-8-13-5-4-6-14(9-12)19(13)2/h7,10,12-14H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyXNIOMUWUBQQYMU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.83
Rot. Bonds3

About N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106660570) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106660570
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1cnc(C)cc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H25N3O/c1-11-7-15(16(20-3)10-17-11)18-12-8-13-5-4-6-14(9-12)19(13)2/h7,10,12-14H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyXNIOMUWUBQQYMU-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
CID 106660339
5-[(5-methoxy-2-methyl-4-pyridinyl)amino]-1-methylpiperidin-2-one
CID 106660550
1-N-(5-methoxy-2-methyl-4-pyridinyl)cyclopentane-1,2-diamine
CID 106660824
N-(2,3-dimethylcyclohexyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660246
5-methoxy-2-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 106660631
4-fluoro-5-methoxy-1-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,2-diamine
CID 65470637
N-(2-chloro-4,5-dimethoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43712464
2-[4-[(5-methoxy-2-methyl-4-pyridinyl)amino]piperidin-1-yl]acetamide
CID 106660331
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
N-(2-cyclohexylethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660313
4-methyl-3-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzene-1,3-diamine
CID 65470253

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 106660570) is N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is COc1cnc(C)cc1NC1CC2CCCC(C1)N2C.
What is the InChIKey of N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is XNIOMUWUBQQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-7-15(16(20-3)10-17-11)18-12-8-13-5-4-6-14(9-12)19(13)2/h7,10,12-14H,4-6,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 275.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106660570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).