1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine

C12H21N5 — CID 66449162

IUPAC1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cncc(CN)n2)C1
InChIInChI=1S/C12H21N5/c1-16(2)11-4-3-5-17(9-11)12-8-14-7-10(6-13)15-12/h7-8,11H,3-6,9,13H2,1-2H3
InChIKeyAMEHYEBLBXCBTI-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.47
Rot. Bonds3

About 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine

1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 66449162) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID66449162
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cncc(CN)n2)C1
InChIInChI=1S/C12H21N5/c1-16(2)11-4-3-5-17(9-11)12-8-14-7-10(6-13)15-12/h7-8,11H,3-6,9,13H2,1-2H3
InChIKeyAMEHYEBLBXCBTI-UHFFFAOYSA-N
XLogP0.47
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine (CID 66449162) is 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cncc(CN)n2)C1.
What is the InChIKey of 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is AMEHYEBLBXCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16(2)11-4-3-5-17(9-11)12-8-14-7-10(6-13)15-12/h7-8,11H,3-6,9,13H2,1-2H3.
What are the key properties of 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine?
1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 66449162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).