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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Related Compounds

3-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 64624211
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
trans-(1R,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentan-1-ol
CID 94879143
4-tert-butyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 62845689
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
1,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 81466069
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
CID 64761113
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
1-N-propylcyclohexane-1,3-diamine
CID 22026573

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).