N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

C14H22FN3 — CID 71995873

IUPACN-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(c2cccc(F)n2)C1
InChIInChI=1S/C14H22FN3/c1-3-8-17(2)10-12-7-9-18(11-12)14-6-4-5-13(15)16-14/h4-6,12H,3,7-11H2,1-2H3
InChIKeyFVVMBIHUPNHWQZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.39
Rot. Bonds5

About N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 71995873) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID71995873
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(c2cccc(F)n2)C1
InChIInChI=1S/C14H22FN3/c1-3-8-17(2)10-12-7-9-18(11-12)14-6-4-5-13(15)16-14/h4-6,12H,3,7-11H2,1-2H3
InChIKeyFVVMBIHUPNHWQZ-UHFFFAOYSA-N
XLogP2.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (CID 71995873) is N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is CCCN(C)CC1CCN(c2cccc(F)n2)C1.
What is the InChIKey of N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is FVVMBIHUPNHWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-8-17(2)10-12-7-9-18(11-12)14-6-4-5-13(15)16-14/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-2-pyridinyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 71995873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).