2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine

C15H26N4O — CID 80846576

IUPAC2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCOC2CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-2-8-17-14-11-16-12-15(19-14)18-9-10-20-13-6-4-3-5-7-13/h11-13H,2-10H2,1H3,(H2,17,18,19)
InChIKeyTVKIXVVHTHUCBS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.06
Rot. Bonds8

About 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine

2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80846576) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80846576
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCOC2CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-2-8-17-14-11-16-12-15(19-14)18-9-10-20-13-6-4-3-5-7-13/h11-13H,2-10H2,1H3,(H2,17,18,19)
InChIKeyTVKIXVVHTHUCBS-UHFFFAOYSA-N
XLogP3.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-(2-cyclopentyloxyethyl)pyrazine-2,6-diamine
CID 78988738
4-N-(2-cyclopentyloxyethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80846025
N-(2-cyclohexyloxyethyl)pyrazin-2-amine
CID 61064390
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
2-N-piperidin-1-yl-6-N-propylpyrazine-2,6-diamine
CID 83027760
2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 107421236
4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 80770120
6-(2-cyclobutylethoxy)-N-propylpyrazin-2-amine
CID 114158245
2-N-(2,3-dimethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80777015

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine (CID 80846576) is 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCCOC2CCCCC2)n1.
What is the InChIKey of 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is TVKIXVVHTHUCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-8-17-14-11-16-12-15(19-14)18-9-10-20-13-6-4-3-5-7-13/h11-13H,2-10H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80846576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).