N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C17H28FN3 — CID 105389986

IUPACN-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(N2CCCCCC2C)c1F
InChIInChI=1S/C17H28FN3/c1-13(2)11-19-12-15-8-9-20-17(16(15)18)21-10-6-4-5-7-14(21)3/h8-9,13-14,19H,4-7,10-12H2,1-3H3
InChIKeyALOTZUNDEYGNCG-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.74
Rot. Bonds5

About N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105389986) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105389986
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(N2CCCCCC2C)c1F
InChIInChI=1S/C17H28FN3/c1-13(2)11-19-12-15-8-9-20-17(16(15)18)21-10-6-4-5-7-14(21)3/h8-9,13-14,19H,4-7,10-12H2,1-3H3
InChIKeyALOTZUNDEYGNCG-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388710
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388871
N-[[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285762
N-[[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388788
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388688
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708
N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105389090
N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390466
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105389986) is N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(N2CCCCCC2C)c1F.
What is the InChIKey of N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ALOTZUNDEYGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-13(2)11-19-12-15-8-9-20-17(16(15)18)21-10-6-4-5-7-14(21)3/h8-9,13-14,19H,4-7,10-12H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105389986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).