[5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine

C13H21N3O — CID 114247926

IUPAC[5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine
SMILESNCc1cnc(OCC2CCCCCC2)cn1
InChIInChI=1S/C13H21N3O/c14-7-12-8-16-13(9-15-12)17-10-11-5-3-1-2-4-6-11/h8-9,11H,1-7,10,14H2
InChIKeyILLXJOWEWVOYFS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds4

About [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine

[5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine (PubChem CID 114247926) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine
PubChem CID114247926
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine
SMILESNCc1cnc(OCC2CCCCCC2)cn1
InChIInChI=1S/C13H21N3O/c14-7-12-8-16-13(9-15-12)17-10-11-5-3-1-2-4-6-11/h8-9,11H,1-7,10,14H2
InChIKeyILLXJOWEWVOYFS-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(cyclopropylmethoxy)pyrazin-2-yl]methanol
CID 107373161
2-(cyclopropylmethoxy)-5-ethylpyrazine
CID 177013982
[6-(cyclopentylmethoxy)pyridazin-3-yl]methanamine
CID 66323345
1-[5-(cyclopropylmethoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381569
[5-chloro-2-(cyclopentylmethoxy)-4-pyridinyl]methanamine
CID 114928866
(5-prop-2-enoxypyrazin-2-yl)methanamine
CID 107381316
[2-(cycloheptylmethoxy)-4-pyridinyl]methanamine
CID 114247934
2-(cyclopropylmethoxy)-5-propan-2-ylpyrazine
CID 58448486
[4-(cyclohexylmethoxy)-2-pyridinyl]methanamine
CID 62385639
[5-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 79787621
5-bromo-2-(cyclopentylmethoxy)-4-methylpyridine
CID 114870777
[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
CID 82004607

Frequently Asked Questions

What is the IUPAC name of [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine (CID 114247926) is [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine is NCc1cnc(OCC2CCCCCC2)cn1.
What is the InChIKey of [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine?
The InChIKey is ILLXJOWEWVOYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-7-12-8-16-13(9-15-12)17-10-11-5-3-1-2-4-6-11/h8-9,11H,1-7,10,14H2.
What are the key properties of [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine?
[5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cycloheptylmethoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 114247926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).