1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C12H17F2N3 — CID 114150515

IUPAC1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCC2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H17F2N3/c1-9-5-17-11(8-16-9)7-15-6-10-2-3-12(13,14)4-10/h5,8,10,15H,2-4,6-7H2,1H3
InChIKeyRBIHSIFVKCKXNO-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.31
Rot. Bonds4

About 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 114150515) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID114150515
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCC2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H17F2N3/c1-9-5-17-11(8-16-9)7-15-6-10-2-3-12(13,14)4-10/h5,8,10,15H,2-4,6-7H2,1H3
InChIKeyRBIHSIFVKCKXNO-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 114150515) is 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCC2CCC(F)(F)C2)cn1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is RBIHSIFVKCKXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-9-5-17-11(8-16-9)7-15-6-10-2-3-12(13,14)4-10/h5,8,10,15H,2-4,6-7H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 241.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 114150515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).