5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine

C16H25N3 — CID 77088674

IUPAC5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2C[C@@H]3CCC[C@H](C3)C2)cn1
InChIInChI=1S/C16H25N3/c1-18(2)16-7-6-15(9-17-16)12-19-10-13-4-3-5-14(8-13)11-19/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyODKXISRDDSTJIB-ZIAGYGMSSA-N
MW259.40 g/mol
LogP2.77
Rot. Bonds3

About 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine

5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 77088674) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID77088674
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2C[C@@H]3CCC[C@H](C3)C2)cn1
InChIInChI=1S/C16H25N3/c1-18(2)16-7-6-15(9-17-16)12-19-10-13-4-3-5-14(8-13)11-19/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyODKXISRDDSTJIB-ZIAGYGMSSA-N
XLogP2.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine with MolForge

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Related Compounds

1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
CID 155956657
[(3R,4R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70736905
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
3-[(6-bromo-3-pyridinyl)methyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 178121914
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120844114
N,N-dimethyl-5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyridin-2-amine
CID 77089956

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 77088674) is 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CN2C[C@@H]3CCC[C@H](C3)C2)cn1.
What is the InChIKey of 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is ODKXISRDDSTJIB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N3/c1-18(2)16-7-6-15(9-17-16)12-19-10-13-4-3-5-14(8-13)11-19/h6-7,9,13-14H,3-5,8,10-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine?
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 77088674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).