N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine

C11H19N3 — CID 62846047

IUPACN-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cnc(C)cn1
InChIInChI=1S/C11H19N3/c1-4-5-9(2)12-7-11-8-13-10(3)6-14-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyRRWCHYCISFDOGP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds5

About N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine

N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine (PubChem CID 62846047) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
PubChem CID62846047
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cnc(C)cn1
InChIInChI=1S/C11H19N3/c1-4-5-9(2)12-7-11-8-13-10(3)6-14-11/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyRRWCHYCISFDOGP-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine (CID 62846047) is N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine is CCCC(C)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine?
The InChIKey is RRWCHYCISFDOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-9(2)12-7-11-8-13-10(3)6-14-11/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 62846047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).