N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine

C15H21FN2 — CID 114229715

IUPACN-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1(C)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2/c1-14(2)12(9-17-11-5-6-11)15(14,3)13-7-4-10(16)8-18-13/h4,7-8,11-12,17H,5-6,9H2,1-3H3
InChIKeyRQZSLBKCFHCSJO-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.89
Rot. Bonds4

About N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine

N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine (PubChem CID 114229715) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
PubChem CID114229715
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC NameN-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1(C)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2/c1-14(2)12(9-17-11-5-6-11)15(14,3)13-7-4-10(16)8-18-13/h4,7-8,11-12,17H,5-6,9H2,1-3H3
InChIKeyRQZSLBKCFHCSJO-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine (CID 114229715) is N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine is CC1(C)C(CNC2CC2)C1(C)c1ccc(F)cn1.
What is the InChIKey of N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is RQZSLBKCFHCSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-14(2)12(9-17-11-5-6-11)15(14,3)13-7-4-10(16)8-18-13/h4,7-8,11-12,17H,5-6,9H2,1-3H3.
What are the key properties of N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine?
N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 248.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-pyridinyl)-2,3,3-trimethylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114229715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).