1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine

C17H26FN3 — CID 105389757

IUPAC1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCC3(CCCCC3)CC2)c1F
InChIInChI=1S/C17H26FN3/c1-19-13-14-5-10-20-16(15(14)18)21-11-8-17(9-12-21)6-3-2-4-7-17/h5,10,19H,2-4,6-9,11-13H2,1H3
InChIKeyNQFMPVSGOGUEDZ-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine

1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine (PubChem CID 105389757) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
PubChem CID105389757
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCC3(CCCCC3)CC2)c1F
InChIInChI=1S/C17H26FN3/c1-19-13-14-5-10-20-16(15(14)18)21-11-8-17(9-12-21)6-3-2-4-7-17/h5,10,19H,2-4,6-9,11-13H2,1H3
InChIKeyNQFMPVSGOGUEDZ-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethyl-4-methylpiperidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389819
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389603
1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388790
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897
N-[[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105389973
1-[2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62931499
1-(3-fluoro-2-pyrazol-1-yl-4-pyridinyl)-N-methylmethanamine
CID 105390553

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine (CID 105389757) is 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CCC3(CCCCC3)CC2)c1F.
What is the InChIKey of 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is NQFMPVSGOGUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-19-13-14-5-10-20-16(15(14)18)21-11-8-17(9-12-21)6-3-2-4-7-17/h5,10,19H,2-4,6-9,11-13H2,1H3.
What are the key properties of 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 291.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-azaspiro[5.5]undecan-3-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105389757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).