N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

C15H22FN3 — CID 105390394

IUPACN-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCN(c2nccc(CNC3CC3)c2F)C1
InChIInChI=1S/C15H22FN3/c1-2-11-6-8-19(10-11)15-14(16)12(5-7-17-15)9-18-13-3-4-13/h5,7,11,13,18H,2-4,6,8-10H2,1H3
InChIKeyHTVNXSOQPRLZRQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.71
Rot. Bonds5

About N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105390394) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105390394
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESCCC1CCN(c2nccc(CNC3CC3)c2F)C1
InChIInChI=1S/C15H22FN3/c1-2-11-6-8-19(10-11)15-14(16)12(5-7-17-15)9-18-13-3-4-13/h5,7,11,13,18H,2-4,6,8-10H2,1H3
InChIKeyHTVNXSOQPRLZRQ-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (CID 105390394) is N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is CCC1CCN(c2nccc(CNC3CC3)c2F)C1.
What is the InChIKey of N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HTVNXSOQPRLZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-2-11-6-8-19(10-11)15-14(16)12(5-7-17-15)9-18-13-3-4-13/h5,7,11,13,18H,2-4,6,8-10H2,1H3.
What are the key properties of N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 263.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105390394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).