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

C13H21N3 — CID 81026451

IUPACN-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
SMILESCNCC1CCCCCC1c1cnccn1
InChIInChI=1S/C13H21N3/c1-14-9-11-5-3-2-4-6-12(11)13-10-15-7-8-16-13/h7-8,10-12,14H,2-6,9H2,1H3
InChIKeyUFJKWNLNQMQIGC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.36
Rot. Bonds3

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

N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine (PubChem CID 81026451) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
PubChem CID81026451
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
SMILESCNCC1CCCCCC1c1cnccn1
InChIInChI=1S/C13H21N3/c1-14-9-11-5-3-2-4-6-12(11)13-10-15-7-8-16-13/h7-8,10-12,14H,2-6,9H2,1H3
InChIKeyUFJKWNLNQMQIGC-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.36
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-ylcycloheptyl)methanamine?
The IUPAC name of N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine (CID 81026451) is N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine?
The canonical SMILES for N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine is CNCC1CCCCCC1c1cnccn1.
What is the InChIKey of N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine?
The InChIKey is UFJKWNLNQMQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-9-11-5-3-2-4-6-12(11)13-10-15-7-8-16-13/h7-8,10-12,14H,2-6,9H2,1H3.
What are the key properties of N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine?
N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.36, 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-ylcycloheptyl)methanamine is sourced from PubChem (CID 81026451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).