N-(2-cyclohexyloxyethyl)pyrazin-2-amine

C12H19N3O — CID 61064390

IUPACN-(2-cyclohexyloxyethyl)pyrazin-2-amine
SMILESc1cnc(NCCOC2CCCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-4-11(5-3-1)16-9-8-15-12-10-13-6-7-14-12/h6-7,10-11H,1-5,8-9H2,(H,14,15)
InChIKeyQYCGQSJBAFYTBD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)pyrazin-2-amine

N-(2-cyclohexyloxyethyl)pyrazin-2-amine (PubChem CID 61064390) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)pyrazin-2-amine
PubChem CID61064390
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-cyclohexyloxyethyl)pyrazin-2-amine
SMILESc1cnc(NCCOC2CCCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-4-11(5-3-1)16-9-8-15-12-10-13-6-7-14-12/h6-7,10-11H,1-5,8-9H2,(H,14,15)
InChIKeyQYCGQSJBAFYTBD-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-cyclohexyloxyethyl)pyrazine-2,6-diamine
CID 78988775
2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 63825157
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
2-N-(2-cyclopentyloxyethyl)pyrazine-2,6-diamine
CID 78988738
N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 133308532
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
2-(2-cyclohexyloxyethylamino)pyridine-4-carbonitrile
CID 63826491
N-(3-cyclopropylpropyl)pyrazin-2-amine
CID 115637555
N-[2-(2-methylpropoxy)ethyl]pyrazin-2-amine
CID 115586229
N-(2-cyclohexyloxyethyl)-5-fluoropyrimidin-2-amine
CID 112703139
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine
CID 102559194

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)pyrazin-2-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)pyrazin-2-amine (CID 61064390) is N-(2-cyclohexyloxyethyl)pyrazin-2-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)pyrazin-2-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)pyrazin-2-amine is c1cnc(NCCOC2CCCCC2)cn1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)pyrazin-2-amine?
The InChIKey is QYCGQSJBAFYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-4-11(5-3-1)16-9-8-15-12-10-13-6-7-14-12/h6-7,10-11H,1-5,8-9H2,(H,14,15).
What are the key properties of N-(2-cyclohexyloxyethyl)pyrazin-2-amine?
N-(2-cyclohexyloxyethyl)pyrazin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)pyrazin-2-amine is sourced from PubChem (CID 61064390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).