3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine

C24H35N3O — CID 22278748

IUPAC3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2c(OC)ccc3c2CCCC3)c(CC)nc1NC(CC)CC
InChIInChI=1S/C24H35N3O/c1-6-17(7-2)25-24-20(9-4)26-23(19(8-3)27-24)22-18-13-11-10-12-16(18)14-15-21(22)28-5/h14-15,17H,6-13H2,1-5H3,(H,25,27)
InChIKeyPTWUSPDYQYJZIG-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.76
Rot. Bonds8

About 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine

3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22278748) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
PubChem CID22278748
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(-c2c(OC)ccc3c2CCCC3)c(CC)nc1NC(CC)CC
InChIInChI=1S/C24H35N3O/c1-6-17(7-2)25-24-20(9-4)26-23(19(8-3)27-24)22-18-13-11-10-12-16(18)14-15-21(22)28-5/h14-15,17H,6-13H2,1-5H3,(H,25,27)
InChIKeyPTWUSPDYQYJZIG-UHFFFAOYSA-N
XLogP5.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804334
3-ethyl-5-[6-ethyl-3-methoxy-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 58804350
3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butan-1-ol
CID 22278698
3,6-diethyl-5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-N-pentan-2-ylpyrazin-2-amine
CID 22278704
3,6-diethyl-N-(3-methoxy-1-phenylpropyl)-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-amine
CID 22278714
2-[[5-[3,6-diethyl-5-(pentan-3-ylamino)pyrazin-2-yl]-6-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]ethanethioamide
CID 22278763
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
ethyl 3-[[3,6-diethyl-5-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrazin-2-yl]amino]butanoate
CID 22278778
5-(2,4-dichlorophenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 23068426
3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804525
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methylpyridazin-3-amine
CID 167138148
5-(4-chloro-2-ethoxyphenyl)-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
CID 10293015

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine (CID 22278748) is 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2c(OC)ccc3c2CCCC3)c(CC)nc1NC(CC)CC.
What is the InChIKey of 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is PTWUSPDYQYJZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-6-17(7-2)25-24-20(9-4)26-23(19(8-3)27-24)22-18-13-11-10-12-16(18)14-15-21(22)28-5/h14-15,17H,6-13H2,1-5H3,(H,25,27).
What are the key properties of 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine?
3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 381.56 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22278748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).