N-cycloheptyl-3,6-dimethylpyrazin-2-amine

C13H21N3 — CID 60631763

IUPACN-cycloheptyl-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC2CCCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-9-14-11(2)13(15-10)16-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOVTWQIYCFKNHT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds2

About N-cycloheptyl-3,6-dimethylpyrazin-2-amine

N-cycloheptyl-3,6-dimethylpyrazin-2-amine (PubChem CID 60631763) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cycloheptyl-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-3,6-dimethylpyrazin-2-amine
PubChem CID60631763
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-cycloheptyl-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC2CCCCCC2)n1
InChIInChI=1S/C13H21N3/c1-10-9-14-11(2)13(15-10)16-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,15,16)
InChIKeyPOVTWQIYCFKNHT-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-cycloheptyl-3,6-dimethylpyrazin-2-amine (CID 60631763) is N-cycloheptyl-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-cycloheptyl-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-cycloheptyl-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-3,6-dimethylpyrazin-2-amine?
The InChIKey is POVTWQIYCFKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-9-14-11(2)13(15-10)16-12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-cycloheptyl-3,6-dimethylpyrazin-2-amine?
N-cycloheptyl-3,6-dimethylpyrazin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 60631763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).