N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine

C13H21N3O — CID 133470298

IUPACN-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1NC1CCCC1C
InChIInChI=1S/C13H21N3O/c1-9(2)17-13-12(14-7-8-15-13)16-11-6-4-5-10(11)3/h7-11H,4-6H2,1-3H3,(H,14,16)
InChIKeyPPWFYXQLBPWBCZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds4

About N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine

N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133470298) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine
PubChem CID133470298
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1NC1CCCC1C
InChIInChI=1S/C13H21N3O/c1-9(2)17-13-12(14-7-8-15-13)16-11-6-4-5-10(11)3/h7-11H,4-6H2,1-3H3,(H,14,16)
InChIKeyPPWFYXQLBPWBCZ-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine (CID 133470298) is N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine is CC(C)Oc1nccnc1NC1CCCC1C.
What is the InChIKey of N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is PPWFYXQLBPWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)17-13-12(14-7-8-15-13)16-11-6-4-5-10(11)3/h7-11H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine?
N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133470298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).