3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine

C28H36N4O2 — CID 142823119

IUPAC3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
SMILESCCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1N.NOC1Cc2ccccc2C1
InChIInChI=1S/C19H25N3O.C9H11NO/c1-4-15-18(21-16(5-2)19(20)22-15)14-10-12-8-6-7-9-13(12)11-17(14)23-3;10-11-9-5-7-3-1-2-4-8(7)6-9/h10-11H,4-9H2,1-3H3,(H2,20,22);1-4,9H,5-6,10H2
InChIKeyXPUZOGMMPCDXNY-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.78
Rot. Bonds5

About 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine

3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine (PubChem CID 142823119) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine.

Molecular Properties

Compound Name3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
PubChem CID142823119
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
SMILESCCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1N.NOC1Cc2ccccc2C1
InChIInChI=1S/C19H25N3O.C9H11NO/c1-4-15-18(21-16(5-2)19(20)22-15)14-10-12-8-6-7-9-13(12)11-17(14)23-3;10-11-9-5-7-3-1-2-4-8(7)6-9/h10-11H,4-9H2,1-3H3,(H2,20,22);1-4,9H,5-6,10H2
InChIKeyXPUZOGMMPCDXNY-UHFFFAOYSA-N
XLogP4.78
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 22278807
3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine
CID 22278714
3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol
CID 22278698
ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
CID 22278778
3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pentan-2-ylpyrazin-2-amine
CID 22278704
O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 68506766
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
[(1R,2S)-1-[[5-(4-chloro-2-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58583502
[1-[[5-(4-chloro-2-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 23593695
3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
CID 22278748

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine?
The IUPAC name of 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine (CID 142823119) is 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine.
What is the SMILES notation for 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine?
The canonical SMILES for 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine is CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1N.NOC1Cc2ccccc2C1.
What is the InChIKey of 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine?
The InChIKey is XPUZOGMMPCDXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C9H11NO/c1-4-15-18(21-16(5-2)19(20)22-15)14-10-12-8-6-7-9-13(12)11-17(14)23-3;10-11-9-5-7-3-1-2-4-8(7)6-9/h10-11H,4-9H2,1-3H3,(H2,20,22);1-4,9H,5-6,10H2.
What are the key properties of 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine?
3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine has a molecular weight of 460.62 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine;O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine is sourced from PubChem (CID 142823119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).