2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

C14H23N3 — CID 64761113

IUPAC2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CNC2CC(C)CCC2C)cn1
InChIInChI=1S/C14H23N3/c1-10-4-5-11(2)14(6-10)17-9-13-8-15-12(3)7-16-13/h7-8,10-11,14,17H,4-6,9H2,1-3H3
InChIKeyCMKIMZXNSKWWBY-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.70
Rot. Bonds3

About 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine

2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64761113) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
PubChem CID64761113
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCc1cnc(CNC2CC(C)CCC2C)cn1
InChIInChI=1S/C14H23N3/c1-10-4-5-11(2)14(6-10)17-9-13-8-15-12(3)7-16-13/h7-8,10-11,14,17H,4-6,9H2,1-3H3
InChIKeyCMKIMZXNSKWWBY-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine (CID 64761113) is 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is Cc1cnc(CNC2CC(C)CCC2C)cn1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is CMKIMZXNSKWWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-4-5-11(2)14(6-10)17-9-13-8-15-12(3)7-16-13/h7-8,10-11,14,17H,4-6,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine?
2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64761113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).