N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine

C12H20N4O — CID 53185754

IUPACN-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
SMILESCCCOc1nccnc1N1CCC(NC)C1
InChIInChI=1S/C12H20N4O/c1-3-8-17-12-11(14-5-6-15-12)16-7-4-10(9-16)13-2/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyWRXLRLPCJQCKID-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine

N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine (PubChem CID 53185754) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
PubChem CID53185754
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
SMILESCCCOc1nccnc1N1CCC(NC)C1
InChIInChI=1S/C12H20N4O/c1-3-8-17-12-11(14-5-6-15-12)16-7-4-10(9-16)13-2/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKeyWRXLRLPCJQCKID-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine (CID 53185754) is N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine is CCCOc1nccnc1N1CCC(NC)C1.
What is the InChIKey of N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
The InChIKey is WRXLRLPCJQCKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-8-17-12-11(14-5-6-15-12)16-7-4-10(9-16)13-2/h5-6,10,13H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 53185754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).