1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine

C12H20N4 — CID 79458123

IUPAC1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCc1cnc(CNC2CCCC(N)C2)cn1
InChIInChI=1S/C12H20N4/c1-9-6-15-12(7-14-9)8-16-11-4-2-3-10(13)5-11/h6-7,10-11,16H,2-5,8,13H2,1H3
InChIKeyXWQZIDNXWOLPJT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.14
Rot. Bonds3

About 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine

1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine (PubChem CID 79458123) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine
PubChem CID79458123
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCc1cnc(CNC2CCCC(N)C2)cn1
InChIInChI=1S/C12H20N4/c1-9-6-15-12(7-14-9)8-16-11-4-2-3-10(13)5-11/h6-7,10-11,16H,2-5,8,13H2,1H3
InChIKeyXWQZIDNXWOLPJT-UHFFFAOYSA-N
XLogP1.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine (CID 79458123) is 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine is Cc1cnc(CNC2CCCC(N)C2)cn1.
What is the InChIKey of 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine?
The InChIKey is XWQZIDNXWOLPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-6-15-12(7-14-9)8-16-11-4-2-3-10(13)5-11/h6-7,10-11,16H,2-5,8,13H2,1H3.
What are the key properties of 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine?
1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-methylpyrazin-2-yl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).