N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine

C12H19N3 — CID 81028406

IUPACN-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
SMILESCNCC1CCCCC1c1cnccn1
InChIInChI=1S/C12H19N3/c1-13-8-10-4-2-3-5-11(10)12-9-14-6-7-15-12/h6-7,9-11,13H,2-5,8H2,1H3
InChIKeyOQMNJVATJCHFCW-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine

N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine (PubChem CID 81028406) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
PubChem CID81028406
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
SMILESCNCC1CCCCC1c1cnccn1
InChIInChI=1S/C12H19N3/c1-13-8-10-4-2-3-5-11(10)12-9-14-6-7-15-12/h6-7,9-11,13H,2-5,8H2,1H3
InChIKeyOQMNJVATJCHFCW-UHFFFAOYSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine (CID 81028406) is N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine is CNCC1CCCCC1c1cnccn1.
What is the InChIKey of N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine?
The InChIKey is OQMNJVATJCHFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-13-8-10-4-2-3-5-11(10)12-9-14-6-7-15-12/h6-7,9-11,13H,2-5,8H2,1H3.
What are the key properties of N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine?
N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 81028406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).