N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

C16H26FN3 — CID 105390385

IUPACN-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCC(C(C)C)C2)c1F
InChIInChI=1S/C16H26FN3/c1-4-7-18-10-13-5-8-19-16(15(13)17)20-9-6-14(11-20)12(2)3/h5,8,12,14,18H,4,6-7,9-11H2,1-3H3
InChIKeyMYIBRPAOWQXPAX-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.20
Rot. Bonds6

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

N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105390385) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105390385
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(N2CCC(C(C)C)C2)c1F
InChIInChI=1S/C16H26FN3/c1-4-7-18-10-13-5-8-19-16(15(13)17)20-9-6-14(11-20)12(2)3/h5,8,12,14,18H,4,6-7,9-11H2,1-3H3
InChIKeyMYIBRPAOWQXPAX-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389828
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390138
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390520
4-ethyl-3-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 170578039
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388688
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105390380
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389418

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105390385) is N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(N2CCC(C(C)C)C2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is MYIBRPAOWQXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-4-7-18-10-13-5-8-19-16(15(13)17)20-9-6-14(11-20)12(2)3/h5,8,12,14,18H,4,6-7,9-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105390385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).