N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine

C15H28N4 — CID 66458739

IUPACN-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine
SMILESCCCCN(CC)c1cncc(CNCC(C)C)n1
InChIInChI=1S/C15H28N4/c1-5-7-8-19(6-2)15-12-17-11-14(18-15)10-16-9-13(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyGDDHXTLCVKMVMW-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.85
Rot. Bonds9

About N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine

N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine (PubChem CID 66458739) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine
PubChem CID66458739
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine
SMILESCCCCN(CC)c1cncc(CNCC(C)C)n1
InChIInChI=1S/C15H28N4/c1-5-7-8-19(6-2)15-12-17-11-14(18-15)10-16-9-13(3)4/h11-13,16H,5-10H2,1-4H3
InChIKeyGDDHXTLCVKMVMW-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine?
The IUPAC name of N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine (CID 66458739) is N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine is CCCCN(CC)c1cncc(CNCC(C)C)n1.
What is the InChIKey of N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine?
The InChIKey is GDDHXTLCVKMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-7-8-19(6-2)15-12-17-11-14(18-15)10-16-9-13(3)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine?
N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 66458739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).